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: in Oxford Molecular, Ltd.
:
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: Ltd. WILL NOT BE LIABLE IN ANY EVENT FOR ANY CONSEQUENTIAL,
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: CONNECTION WITH THE INFORMATION OR ITS USE BY ANY PERSON, OR ANY
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:
: DGauss Version 4.0
:
: (C) Copyright 1996, 1997 Oxford Molecular, Ltd.
:


: ===========================================
:             DGauss Version 2.0, 2.1, 2.3
: 
: ===========================================
:           LSD basis sets developed by
:         Nathalie Godbout and Jan Andzelm
:            input format by M. Kohout
: input of Gaussian basis sets by M. Kohout and Ilene Carpenter
:
: INTRODUCTION
: This document contains the basis sets used by DGauss for performing DFT 
: calculations in a Gaussian basis.  General references for DGauss may be
: found in:
: 
: J. Andzelm and E. Wimmer, J. Chem. Phy. 96, 1290 (1992).
: J. Andzelm in 'Density Functional Methods in Chemistry," J. Labanowski and
:    J. Andzelm, eds., Springer Verlag, New York, 1991.
: A. Komornicki and G. Fitzgerald, J. Chem. Phys. 98, 1398 (1993).
: 
: The basis sets are described in the reference:
: 
: N. Godbout, D. R. Salahub, J. Andzelm, and E. Wimmer, Can. J. Chem. 70,
: 560 (1992).
: 
: The discussion below summarizes some of the key features of DGauss in order
: to explain the various basis sets presented below.  Details may be found in
: J. Chem. Phys. 96, 1290 (1992).
: 
: DGauss computes the Coulomb contribution by expanding the charge density
: in a single particle expansion.  The expression for the Coulomb energy
: becomes
:
: E = Sum  P(mn) (mn|k) a(k) - 0.5 Sum (k|l)
:     mnk                          kl
:
: where m,n represent atomic orbital basis functions;
:       k,l represent auxiliary coulomb basis functions;
:       P(mn) is the mn element of the density matrix;
:       a(k) are the coefficients for the single-particle expansion of density;
:       (mn|k) are 3-center 2-electron coulomb repulsion integrals;
:       (k|l) are 2-center 2-electron coulomb repulsion integrals.
:
: The atomic orbital basis sets (m,n) are generally of the quality of Double-
: zeta (or Triple-zeta) for the valence region, plus polarization. These are 
: designated DZVP & TZVP.
:
: The auxiliary Coulomb basis sets are designated as A1, A2, etc.  These
: basis sets are always assumed to be UNCONTRACTED.
:
: In addition to Coulomb fitting, it is possible to fit the 
: exchange-correlation expression as well.  This basis set is similar to 
: the auxiliary Coulomb set in that it is an uncontracted Gaussian set.
: The two fitting basis sets always appear in tandem in this file.
:-----------------------------------------------------------------
: DESCRIPTION OF THE INPUT FORMAT
: Atomic Basis Set
: The input is in free format. A line starting with colon (:) is a comment.
: The input routine will skip this line. The same is true for a blank line.
: A word or number that ends with a colon has no meaning for the program
: and will be also skipped. Such words are used as comments to make the input
: clearer. Words and numbers are separated by one or more blanks.

: As an example the 3-21G orbital basis set for the hydrogen follows:

: C   DZVP
:   s: 3  p: 2  d: 1
: 
: 0.28080645E+04 0.42113828E+03 0.95586616E+02 0.26739004E+02
: 0.20178306E-02 0.15433202E-01 0.75581549E-01 0.24782820E+00  cont
: 0.84328268E+01 0.27605821E+01
: 0.47937250E+00 0.33383438E+00
:
:scale=1.0
: 0.54470045E+01 0.47924220E+00 
: -0.77840771E-01 0.56895599E+00 
:
: 0.14615653E+00
:
: 0.18130852E+02 0.40998832E+01 0.11858370E+01 0.36859740E+00
: 0.15854733E-01 0.95682769E-01 0.30491191E+00 0.49350165E+00
:
: 0.10971999E+00
:
: 0.60000000E+00
:
: Now each line in detail.

: C   DZVP
: In the first line is the atomic symbol in capital letters (C), followed by
: the name of the basis set (DZVP). The symbol does not have  to start at the
: first column.

:   s: 3  p: 2  d: 1
: The number (integer) of contracted function of s, p, d and f symmetry.
: Note that s:, p:, etc. are only comments and thus not read. You don't
: have to input numbers for the symmetries higher than that you wish to use.

:scale=1.0
: The scale factor. The format is dummy=number. Dummy is any word up to 8
: characters. Number is a real number. Between dummy and number must not
: be any character, but '='. Omiting this line sets the scale factor to
: the default value 1.0.  Exponents will be multiplied by scale*scale.

: 0.28080645E+04 0.42113828E+03 0.95586616E+02 0.26739004E+02
: 0.20178306E-02 0.15433202E-01 0.75581549E-01 0.24782820E+00  cont
: 0.84328268E+01 0.27605821E+01
: 0.47937250E+00 0.33383438E+00
: Exponents (first line) and coefficients (second line) of the first contrac-
: ted function of the symmetry s. If you can't write all the numbers (reals)
: in one line, then  after the last coefficient in the line insert any word
: up to 8 characters. Continue in this manner for all exponents and
: contraction coefficients for this Gaussian basis function.
:
: Continue in the same manner for all contracted s, p, and d functions
: as specified in the first line (s: 3  p: 2  d: 1).  For example, the lines
:scale=1.0
: 0.54470045E+01 0.47924220E+00
: -0.77840771E-01 0.56895599E+00
:
: 0.14615653E+00
:
: represent the 2nd & 3rd contracted s functions.
:
: If the function consist of only one Gaussian then write ONLY the exponent.
: The coefficient 1.0 is set automatically by the input routine.  See, for
: example the line with the exponent 0.14615653E+00.

:-----------------------------------------------------------------
: Auxiliary Basis Sets
: Auxiliary basis sets are used to fit the charge density to a single
: particle expansion:
: rho = Sum  a(k) * g(k)
:        k
:
: Here for example is an auxiliary basis set for C.  The first set represents
: the Coulomb fitting exponents and the second represents the exchange-
: correlation fitting exponents.  These basis sets are always assumed to
: be UNCONTRACTED.
:C   A1
:  s:  4   p:  0   d:  3
:
:0.11140000E+04
:0.22300000E+03
:0.55720000E+02
:0.13900000E+02
:
:0.44000000E+01
:0.87000000E+00
:0.22000000E+00
:
:s:  4   p:  0   d:  3
:
:0.37100000E+03
:0.74200000E+02
:0.18600000E+02
:0.46400000E+01
:
:0.14700000E+01
:0.29000000E+00
:0.07300000E+00
:
: As used in DGauss, the p functions actually represent a set of
: shared-exponent s and p functions, while the d represents a set of
: s, p, and d functions.  The above basis sets therefore represent a
: total of 7s, 3p, and 3d functions.
:
: Each fitting basis set was developed to be used in conjunction with 
: a specific orbital basis set.  The developers of these basis sets
: recommend the following pairing.
:  AO BASIS   Fitting 
:              basis
:   DZVP        A1
:   DZVP2       A2
:   TZVP        A2
:   split-valence  P1
:    (6-31G, & etc)
:
:
:List of basis sets developed specifically for DFT
:
:H   DZVP	DZVP2	TZVP	A1	A2
:HE  DZVP	DZVP2		A1	A2
:LI  DZVP	DZVP2		A1
:BE  DZVP	DZVP2		A1
:B   DZVP	DZVP2		A1	A2
:C   DZVP	DZVP2	TZVP	A1	A2
:N   DZVP	DZVP2	TZVP	A1	A2
:O   DZVP	DZVP2	TZVP	A1	A2
:F   DZVP	DZVP2	TZVP	A1	A2
:NE  DZVP	DZVP2		A1	A2
:NA  DZVP	DZVP2		A1
:MG  DZVP	DZVP2		A1
:AL  DZVP	DZVP2	TZVP	A1
:SI  DZVP	DZVP2	TZVP	A1
:P   DZVP	DZVP2	TZVP	A1
:S   DZVP	DZVP2	TZVP	A1
:CL  DZVP	DZVP2	TZVP	A1
:AR  DZVP	DZVP2	TZVP	A1
:K   DZVP			A1
:CA  DZVP			A1
:SC  DZVP	DZVP2		A1
:TI  DZVP	DZVP2		A1
:V   DZVP	DZVP2		A1
:CR  DZVP	DZVP2		A1
:MN  DZVP	DZVP2		A1
:FE  DZVP	DZVP2		A1
:CO  DZVP	DZVP2		A1
:NI  DZVP	DZVP2		A1
:CU  DZVP	DZVP2		A1
:ZN  DZVP	DZVP2		A1
:GA  DZVP			A1
:GE  DZVP			A1
:AS  DZVP			A1
:SE  DZVP			A1
:BR  DZVP			A1
:KR  DZVP			A1
:RB  DZVP			A1
:SR  DZVP			A1
:Y   DZVP			A1
:ZR  DZVP			A1
:NB  DZVP			A1
:MO  DZVP			A1
:TC  DZVP			A1
:RU  DZVP			A1
:RH  DZVP			A1
:PD  DZVP			A1
:AG  DZVP			A1
:CD  DZVP			A1
:IN  DZVP			A1
:SN  DZVP			A1
:SB  DZVP			A1
:TE  DZVP			A1
:I   DZVP			A1
:XE  DZVP			A1
:
: The split valence sets
:      3-21G, 3-21G*, 3-21G**,
:      6-31G, 6-31G*, 6-31G**
:      6-311G,6-311G* 
: are provided for H-Ar
:Use P1 fitting basis with each of these.
:
:                    FIRST ROW ELEMENTS
:
:
:                     HYDROGEN
H    DZV
  s: 2
  0.50999178E+02 0.74832181E+01 0.17774676E+01 0.51932952E+00
 0.96604761E-02 0.73728860E-01 0.29585808E+00 0.71590532E+00
 0.15411000E+00
H    DZVP
  s: 2  
 0.50999178E+02  0.74832181E+01  0.17774676E+01 0.51932952E+00
 0.96604761E-02 0.73728860E-01 0.29585808E+00 0.71590532E+00
 0.15411000E+00
H    DZVP2
  s: 2    p: 1
 0.50999178E+02 0.74832181E+01 0.17774676E+01 0.51932952E+00
 0.96604761E-02 0.73728860E-01 0.29585808E+00 0.71590532E+00
 0.15411000E+00
 0.75000000E+00

H    DZVP4
  s: 3    p: 1
 0.50999178E+02 0.74832181E+01 0.17774676E+01 0.51932952E+00
 0.96604761E-02 0.73728860E-01 0.29585808E+00 0.71590532E+00
 0.15411000E+00
 0.05000000E+00
 0.75000000E+00

H    TZVP 
  s: 3    p: 1
 0.50999178E+02 0.74832181E+01 0.17774676E+01 
 0.96604761E-02 0.73728860E-01 0.29585808E+00 
 0.51932952E+00
 0.15411000E+00
 0.75000000E+00

                      HELIUM
HE   DZVP
  s: 2
 0.33261966E+02 0.75616549E+01 0.22138803E+03 0.20855990E+01
 0.20865765E-01 0.97058838E-01 0.27491019E-02 0.28072885E+00 cont
 0.61433916E+00 
 0.47422183E+00 

 0.18292120E+00
:
HE   DZVP2
  s: 2   p: 1
 0.33261966E+02 0.75616549E+01 0.22138803E+03 0.20855990E+01
 0.20865765E-01 0.97058838E-01 0.27491019E-02 0.28072885E+00 cont
 0.61433916E+00 
 0.47422183E+00 

 0.18292120E+00

 1.1
 
:
:                         SECOND ROW ELEMENTS
:
:
:                      LITHIUM
LI    DZVP
  s: 3  p: 1  d: 1

 0.60570539E+03 0.90860907E+02 0.20631271E+02 0.57384462E+01
 -0.22870218E-02 -0.17452800E-01 -0.83697023E-01 -0.25974846E+00 cont
 0.17515261E+01 0.54639013E+00
 -0.47946131E+00 -0.32330063E+00

 0.84272334E+00 0.67448327E-01
 0.74860917E-01 -0.65464898E+00

 0.25373322E-01

 0.07730000E+00

 0.12200000E+00

LI   DZVP2
  s: 3  p: 1  d: 1

 0.14558197E+04 0.21445374E+03 0.48177791E+02 0.13505697E+02
 -0.77222441E-03 -0.61130930E-02 -0.31375015E-01 -0.11606760E+00  cont
 0.42866198E+01 0.14453245E+01 0.48590636E+00
 -0.29339132E+00 -0.45752192E+00 -0.26240745E+00

 0.83473706E+00 0.67680546E-01 
 0.75145574E-01 -0.65259490E+00

 0.25445911E-01

 0.07730000E+00

 0.12200000E+00

:                      BERYLLIUM
BE    DZVP
  s: 3  p: 1  d: 1

 0.12034141E+04 0.18024571E+03 0.40800054E+02 0.11336538E+02
 0.20504255E-02 0.15707769E-01 0.76831531E-01 0.24802524E+00  cont
 0.35034830E+01 0.11091216E+01
 0.47984522E+00 0.33714592E+00

 0.19593420E+01 0.16520127E+00
 -0.75045539E-01 0.58135568E+00 

 0.55220775E-01

 0.16650000E+00

 0.27800000E+00

BE    DZVP2
  s: 3  p: 1  d: 1

 0.26923795E+04 0.40372786E+03 0.91697945E+02 0.25818603E+02
 0.75062462E-03 0.58046237E-02 0.29576581E-01 0.11098872E+00  cont
 0.82294920E+01 0.28266847E+01 0.97589937E+00
 0.28955565E+00 0.45777168E+00 0.26699435E+00

 0.19570315E+01 0.16519789E+00 
 -0.75080104E-01 0.58234850E+00 

 0.55157073E-01

 0.16650000E+00

 0.27800000E+00

:                      BORON
B    DZVP
  s: 3  p: 2  d: 1

 0.19151666E+04 0.28718311E+03 0.65157176E+02 0.18195827E+02
 -0.20395196E-02 -0.15596581E-01 -0.76244242E-01 -0.24792436E+00  cont
 0.57015379E+01 0.18438375E+01
 -0.47908229E+00 -0.33529529E+00

 0.34914304E+01 0.30505599E+00 
 0.77422363E-01 -0.57412387E+00

 0.96486500E-01

 0.11687417E+02 0.26307755E+01 0.74422685E+00 0.23047606E+00
 0.15086119E-01 0.88815695E-01 0.29036823E+00 0.49944329E+00

 0.69938049E-01

 0.40000000E+00

B   DZVP2
  s: 3  p: 2  d: 1

 0.38625988E+04 0.58145071E+03 0.13316963E+03 0.37987872E+02
 0.84932766E-03 0.65080945E-02 0.32634844E-01 0.11914057E+00  cont
 0.12327848E+02 0.43449642E+01 0.15637309E+01
 0.30309305E+00 0.45122828E+00 0.24491062E+00

 0.34966262E+01 0.30455235E+00 
 -0.77401748E-01 0.57637194E+00

 0.96232738E-01

 0.22258455E+02 0.50508636E+01 0.14846512E+01 0.49797714E+00
 0.55288169E-02 0.38561610E-01 0.14401933E+00 0.34284211E+00  cont
 0.17109003E+00 
 0.46622482E+00 

 0.57074379E-01

 0.40000000E+00

:                      CARBON
C   DZVP
  s: 3  p: 2  d: 1

 0.28080645E+04 0.42113828E+03 0.95586616E+02 0.26739004E+02
 0.20178306E-02 0.15433202E-01 0.75581549E-01 0.24782820E+00  cont
 0.84328268E+01 0.27605821E+01
 0.47937250E+00 0.33383438E+00

 0.54470045E+01 0.47924220E+00 
 -0.77840771E-01 0.56895599E+00 

 0.14615653E+00

 0.18130852E+02 0.40998832E+01 0.11858370E+01 0.36859740E+00
 0.15854733E-01 0.95682769E-01 0.30491191E+00 0.49350165E+00

 0.10971999E+00

 0.60000000E+00

C   DZVP2
  s: 3  p: 2  d: 1

 0.57841571E+04 0.86930350E+03 0.19851164E+03 0.56429901E+02
 0.81899502E-03 0.62934714E-02 0.31781182E-01 0.11727339E+00  cont
 0.18285457E+02 0.64487146E+01 0.23418596E+01
 0.30347633E+00 0.45352144E+00 0.24305906E+00

 0.54595328E+01 0.47819684E+00 
 -0.77804379E-01 0.57149465E+00 

 0.14573011E+00

 0.34258563E+02 0.78638954E+01 0.23445193E+01 0.79617152E+00
 0.58042897E-02 0.40640340E-01 0.15502192E+00 0.35314444E+00  cont
 0.27268043E+00 
 0.45500624E+00 

 0.89260465E-01

 0.60000000E+00

C   TZVP 
  s: 4  p: 3  d: 1

 0.57841571E+04 0.86930350E+03 0.19851164E+03 0.56429901E+02
 0.81899502E-03 0.62934714E-02 0.31781182E-01 0.11727339E+00  cont
 0.18285457E+02 0.64487146E+01 0.23418596E+01
 0.30347633E+00 0.45352144E+00 0.24305906E+00

 0.54595328E+01 

 0.47819684E+00 

 0.14573011E+00

 0.34258563E+02 0.78638954E+01 0.23445193E+01 0.79617152E+00
 0.58042897E-02 0.40640340E-01 0.15502192E+00 0.35314444E+00  

 0.27268043E+00 

 0.89260465E-01

 0.60000000E+00


C   DZVP3
  s: 3  p: 2  d: 1

 0.10798884E+05 0.15935174E+04 0.35055013E+03 0.94032098E+02
 0.38266866E-03 0.30609137E-02 0.16719806E-01 0.71694798E-01  cont
 0.28473705E+02 0.93243719E+01 0.31331146E+01 0.19474426E+00
 0.22660959E+00 0.46105152E+00 0.38159478E+00 -0.58522345E-01

 0.54464414E+01 0.47926184E+00 
 -0.77933567E-01 0.56947319E+00 

 0.14659117E+00

 0.10873750E+02 0.46954969E+02 0.33925083E+01 0.12213174E+01
 -0.25266967E-01 -0.34754215E-02 -0.97467736E-01 -0.24833238E+00  cont
 0.46716990E+00 0.17895291E+00 0.65878476E-01
 -0.38445183E+00 -0.36662193E+00 -0.13823371E+00

 0.65878476E-01

 0.60000000E+00

C   DZVP4
  s: 4  p: 3  d: 1

 0.28080645E+04 0.42113828E+03 0.95586616E+02 0.26739004E+02
 0.20178306E-02 0.15433202E-01 0.75581549E-01 0.24782820E+00  cont
 0.84328268E+01 0.27605821E+01
 0.47937250E+00 0.33383438E+00

 0.54470045E+01 0.47924220E+00 
 -0.77840771E-01 0.56895599E+00 

 0.14615653E+00
 0.05000000E+00

 0.18130852E+02 0.40998832E+01 0.11858370E+01 0.36859740E+00
 0.15854733E-01 0.95682769E-01 0.30491191E+00 0.49350165E+00

 0.10971999E+00
 0.03700000E+00

 0.60000000E+00

:                      NITROGEN
N   DZVP
  s: 3  p: 2  d: 1

 0.38454149E+04 0.57753323E+03 0.13131983E+03 0.36823781E+02
 0.20186081E-02 0.15407756E-01 0.75371402E-01 0.24821224E+00  cont
 0.11670115E+02 0.38542604E+01
 0.47982741E+00 0.33180123E+00

 0.78295611E+01 0.68773512E+00 
 -0.77666871E-01 0.56545976E+00 

 0.20403880E+00

 0.26809841E+02 0.60681540E+01 0.17676256E+01 0.54667274E+00
 0.15466305E-01 0.96439681E-01 0.30836096E+00 0.49115973E+00

 0.15872887E+00

 0.70000000E+00

N  DZVP2
  s: 3  p: 2  d: 1

 0.81041761E+04 0.12173138E+04 0.27773993E+03 0.78847598E+02
 0.79691644E-03 0.61288988E-02 0.31047083E-01 0.11536815E+00  cont
 0.25537161E+02 0.90045711E+01 0.32835278E+01
 0.30257378E+00 0.45579130E+00 0.24302081E+00

 0.78493573E+01 0.68622393E+00 
 -0.77636421E-01 0.56798146E+00 

 0.20350261E+00

 0.49014608E+02 0.11316671E+02 0.34034053E+01 0.11611107E+01
 -0.59006540E-02 -0.41644424E-01 -0.16102491E+00 -0.35835377E+00  cont
 0.39533576E+00 
 -0.44884150E+00

 0.12689806E+00

 0.70000000E+00

N  TZVP 
  s: 4  p: 3  d: 1

 0.81041761E+04 0.12173138E+04 0.27773993E+03 0.78847598E+02
 0.79691644E-03 0.61288988E-02 0.31047083E-01 0.11536815E+00 cont
 0.25537161E+02 0.90045711E+01 0.32835278E+01
 0.30257378E+00 0.45579130E+00 0.24302081E+00

 0.78493573E+01 

 0.68622393E+00 

 0.20350261E+00

 0.49014608E+02 0.11316671E+02 0.34034053E+01 0.11611107E+01
 -0.59006540E-02 -0.41644424E-01 -0.16102491E+00 -0.35835377E+00

 0.39533576E+00 

 0.12689806E+00

 0.70000000E+00

N   DZVP4
  s: 4  p: 3  d: 1

 0.38454149E+04 0.57753323E+03 0.13131983E+03 0.36823781E+02
 0.20186081E-02 0.15407756E-01 0.75371402E-01 0.24821224E+00  cont
 0.11670115E+02 0.38542604E+01
 0.47982741E+00 0.33180123E+00

 0.78295611E+01 0.68773512E+00 
 -0.77666871E-01 0.56545976E+00 

 0.20403880E+00
 0.06800000E+00

 0.26809841E+02 0.60681540E+01 0.17676256E+01 0.54667274E+00
 0.15466305E-01 0.96439681E-01 0.30836096E+00 0.49115973E+00

 0.15872887E+00
 0.05300000E+00

 0.70000000E+00
:                      OXYGEN
O  DZVP
  s: 3  p: 2  d: 1

 0.52229022E+04 0.78253994E+03 0.17726743E+03 0.49516688E+02
 -0.19363723E-02 -0.14850669E-01 -0.73318701E-01 -0.24511623E+00  cont
 0.15666440E+02 0.51793599E+01
 -0.48028470E+00 -0.33594265E+00

 0.10601441E+02 0.94231705E+00 
 0.78805816E-01 -0.56769520E+00

 0.27747457E+00

 0.33424126E+02 0.76221714E+01 0.22382093E+01 0.68673001E+00
 0.17560332E-01 0.10763003E+00 0.32352555E+00 0.48322291E+00

 0.19381352E+00

 0.80000000E+00

O  DZVP2
  s: 3  p: 2  d: 1

 0.10814402E+05 0.16237532E+04 0.37018274E+03 0.10497475E+03
 0.78094053E-03 0.60102166E-02 0.30522177E-01 0.11400891E+00  cont
 0.33984422E+02 0.11984312E+02 0.43859704E+01
 0.30195736E+00 0.45711074E+00 0.24324783E+00

 0.10630034E+02 0.93985256E+00 
 -0.78765352E-01 0.57063034E+00 

 0.27662127E+00

 0.61544218E+02 0.14276194E+02 0.43317679E+01 0.14766043E+01
 0.66238045E-02 0.46464174E-01 0.17442288E+00 0.36661151E+00  cont
 0.49598566E+00 
 0.43693614E+00 

 0.15448356E+00

 0.80000000E+00

O   TZVP 
  s: 4  p: 3  d: 1

 0.10814402E+05 0.16237532E+04 0.37018274E+03 0.10497475E+03
 0.78094053E-03 0.60102166E-02 0.30522177E-01 0.11400891E+00  cont
 0.33984422E+02 0.11984312E+02 0.43859704E+01
 0.30195736E+00 0.45711074E+00 0.24324783E+00

 0.10630034E+02 

 0.93985256E+00 

 0.27662127E+00

 0.61544218E+02 0.14276194E+02 0.43317679E+01 0.14766043E+01
 0.66238045E-02 0.46464174E-01 0.17442288E+00 0.36661151E+00

 0.49598566E+00 

 0.15448356E+00

 0.80000000E+00

O  DZVP4
  s: 4  p: 3  d: 1

 0.52229022E+04 0.78253994E+03 0.17726743E+03 0.49516688E+02
 -0.19363723E-02 -0.14850669E-01 -0.73318701E-01 -0.24511623E+00  cont
 0.15666440E+02 0.51793599E+01
 -0.48028470E+00 -0.33594265E+00

 0.10601441E+02 0.94231705E+00 
 0.78805816E-01 -0.56769520E+00

 0.27747457E+00
 0.09200000E+00

 0.33424126E+02 0.76221714E+01 0.22382093E+01 0.68673001E+00
 0.17560332E-01 0.10763003E+00 0.32352555E+00 0.48322291E+00

 0.19381352E+00
 0.06500000E+00

 0.80000000E+00


:                      FLUORINE
F   DZVP
  s: 3  p: 2  d: 1

 0.63847144E+04 0.95888652E+03 0.21819010E+03 0.61364731E+02
 -0.20301587E-02 -0.15498096E-01 -0.75778689E-01 -0.25027235E+00  cont
 0.19602896E+02 0.65648834E+01
 -0.48010865E+00 -0.32716138E+00

 0.13810694E+02 0.12298665E+01 
 0.79070666E-01 -0.56812155E+00

 0.35847132E+00

 0.42469911E+02 0.97138811E+01 0.28640386E+01 0.87460544E+00
 0.18317041E-01 0.11245129E+00 0.32977705E+00 0.47997719E+00

 0.24250706E+00

 1.00000000E+00

F   DZVP2
  s: 3  p: 2  d: 1

 0.13652101E+05 0.20502870E+04 0.46768712E+03 0.13276350E+03
 0.78731555E-03 0.60549946E-02 0.30728899E-01 0.11464528E+00  cont
 0.43076381E+02 0.15228828E+02 0.56051180E+01
 0.30377063E+00 0.45730669E+00 0.23957790E+00

 0.13847936E+02 0.12266886E+01 
 -0.79034472E-01 0.57084824E+00 

 0.35745644E+00

 0.78961752E+02 0.18347880E+02 0.55871888E+01 0.19018474E+01
 0.67826753E-02 0.47897595E-01 0.17938411E+00 0.36929885E+00  cont
 0.63336518E+00 
 0.43327799E+00 

 0.19334547E+00

 1.00000000E+00

F  TZVP
  s: 4  p: 3  d: 1

 0.13652101E+05 0.20502870E+04 0.46768712E+03 0.13276350E+03
 0.78731555E-03 0.60549946E-02 0.30728899E-01 0.11464528E+00  cont
 0.43076381E+02 0.15228828E+02 0.56051180E+01
 0.30377063E+00 0.45730669E+00 0.23957790E+00

 0.13847936E+02 

 0.12266886E+01 

 0.35745644E+00

 0.78961752E+02 0.18347880E+02 0.55871888E+01 0.19018474E+01
 0.67826753E-02 0.47897595E-01 0.17938411E+00 0.36929885E+00

 0.63336518E+00 

 0.19334547E+00

 1.00000000E+00

F   DZVP3
  s: 3  p: 2  d: 1

 0.28040836E+05 0.41892773E+04 0.94653559E+03 0.26597990E+03
 -0.32050743E-03 -0.25069478E-02 -0.13083487E-01 -0.52940024E-01  cont
 0.86289995E+02 0.30927642E+02 0.11715789E+02 0.46249660E+01
 -0.16154744E+00 -0.35247035E+00 -0.41702288E+00 -0.15452326E+00

 0.13849892E+02 0.12243129E+01 
 0.79035067E-01 -0.57279246E+00

 0.35668236E+00

 0.14262504E+03 0.33332149E+02 0.10458222E+02 0.37320232E+01
 0.25472403E-02 0.19724188E-01 0.84805873E-01 0.23233484E+00  cont
 0.13840365E+01 0.49252087E+00 0.16188182E+00
 0.37837961E+00 0.38405459E+00 0.18470549E+00

 0.16188182E+00

 1.00000000E+00

:                      NEON
NE  DZVP
  s: 3  p: 2  d: 1

 0.78838261E+04 0.11844055E+04 0.26967309E+03 0.75941652E+02
 0.20374790E-02 0.15546812E-01 0.75963770E-01 0.25110270E+00  cont
 0.24321095E+02 0.81832559E+01
 0.48047649E+00 0.32511421E+00

 0.17449524E+02 0.15516316E+01 
 -0.79009964E-01 0.56762735E+00 

 0.44769855E+00

 0.52903808E+02 0.12123361E+02 0.35859225E+01 0.10921634E+01
 0.18791056E-01 0.11576054E+00 0.33426270E+00 0.47780383E+00

 0.29944190E+00

0.12000000E+01

:
:
:                  THIRD ROW ELEMENTS
:
:
:                        SODIUM
:
NA  DZVP
  s: 4  p: 3  d: 1

 0.99119960E+04 0.14874555E+04 0.33795385E+03 0.94913945E+02
 0.19504587E-02 0.14917125E-01 0.73416578E-01 0.24569098E+00  cont
 0.30341499E+02 0.10190839E+02
 0.47956110E+00 0.33372124E+00

 0.21229648E+02 0.19804176E+01 0.61888241E+00
 0.82302876E-01 -0.56084799E+00 -0.52243777E+00

 0.69917380E+00 0.61827048E-01 
 0.92097549E-01 -0.67082518E+00

 0.23727409E-01

 0.73085315E+02 0.16864563E+02 0.50553913E+01 0.15920207E+01
 0.16717627E-01 0.10653949E+00 0.32422173E+00 0.48913626E+00

 0.47026897E+00

 0.06470000E+00

 0.11690000E+00

:                          MAGNESIUM
:
MG  DZVP
  s: 4  p: 3  d: 1

 0.12436675E+05 0.18622232E+04 0.42137452E+03 0.11769304E+03
 -0.18333242E-02 -0.14082812E-01 -0.70095622E-01 -0.23877178E+00  cont
 0.37431453E+02 0.12505489E+02
 -0.47873770E+00 -0.34477729E+00

 0.25451400E+02 0.24528765E+01 0.80513336E+00
 0.85213972E-01 -0.56469158E+00 -0.51572746E+00
    
 0.10820076E+01 0.10833402E+00 
 -0.11133336E+00 0.64814522E+00 
    
 0.39907351E-01
 
 0.92463222E+02 0.21501769E+02 0.65374423E+01 0.21180808E+01
 0.16271573E-01 0.10456299E+00 0.32243282E+00 0.49403987E+00
 
 0.65831475E+00
 
 0.10610000E+00
  
 0.18700000E+00

:                               ALUMINIUM
:
AL  DZVP
  s: 4  p: 3  d: 1
    
 0.14724451E+05 0.22054634E+04 0.49930207E+03 0.13959014E+03
 0.18181969E-02 0.13958054E-01 0.69500922E-01 0.23710615E+00  cont
 0.44492277E+02 0.14905691E+02
 0.47761042E+00 0.34763394E+00
    
 0.30075065E+02 0.29838328E+01 0.10209899E+01
 -0.87885116E-01 0.56773706E+00 0.51050084E+00
    
 0.14927792E+01 0.16922909E+00 
 0.13414237E+00 -0.66567577E+00
    
 0.61744906E-01
 
 0.12791613E+03 0.29776778E+02 0.90917384E+01 0.30009865E+01
 0.13302416E-01 0.89670961E-01 0.29813081E+00 0.49626277E+00  cont
 0.96955844E+00
 0.33014499E+00
 
 0.37560009E+00 0.12509894E+00
 0.20509818E+00 0.55181017E+00
 
 0.41739809E-01 
  
 0.30000000E+00

AL  DZVP2
  s: 4  p: 3  d: 1
    
 0.36088152E+05 0.53343620E+04 0.11990892E+04 0.33407447E+03
 0.59758262E-03 0.47090623E-02 0.24553791E-01 0.96710981E-01  cont
 0.10612906E+03 0.36882802E+02 0.13332688E+02
 0.27681913E+00 0.46452588E+00 0.28140029E+00
    
 0.30158128E+02 0.29732774E+01 0.10163812E+01
 0.87771438E-01 -0.57150003E+00 -0.50668803E+00
    
 0.14907612E+01 0.16935721E+00 
 0.13403968E+00 -0.66554911E+00
    
 0.61789704E-01
 
 0.28695815E+03 0.66167308E+02 0.20321795E+02 0.70858235E+01
 0.35184689E-02 0.28335451E-01 0.12620279E+00 0.32838695E+00  cont
 0.25222104E+01 0.86306862E+00
 0.47129213E+00 0.27335180E+00
 
 0.37612547E+00 0.12662863E+00
 0.20315746E+00 0.54380684E+00
 
 0.42684297E-01 
  
 0.30000000E+00

AL  TZVP 
  s: 5  p: 4  d: 1
    
 0.36088152E+05 0.53343620E+04 0.11990892E+04 0.33407447E+03
 0.59758262E-03 0.47090623E-02 0.24553791E-01 0.96710981E-01  cont
 0.10612906E+03 0.36882802E+02 0.13332688E+02
 0.27681913E+00 0.46452588E+00 0.28140029E+00
    
 0.30158128E+02 0.29732774E+01 0.10163812E+01
 0.87771438E-01 -0.57150003E+00 -0.50668803E+00
    
 0.14907612E+01 

 0.16935721E+00 
    
 0.61789704E-01
 
 0.28695815E+03 0.66167308E+02 0.20321795E+02 0.70858235E+01
 0.35184689E-02 0.28335451E-01 0.12620279E+00 0.32838695E+00  cont
 0.25222104E+01 0.86306862E+00
 0.47129213E+00 0.27335180E+00
 
 0.37612547E+00 

 0.12662863E+00
 
 0.42684297E-01 
  
 0.30000000E+00
:                           SILICON
:
:            
SI  DZVP
  s: 4  p: 3  d: 1
    
 0.17268577E+05 0.25866509E+04 0.58563641E+03 0.16377364E+03
 -0.17973948E-02 -0.13797044E-01 -0.68780720E-01 -0.23525082E+00  cont
 0.52267028E+02 0.17541681E+02
 -0.47661939E+00 -0.35077258E+00
    
 0.35124139E+02 0.35654227E+01 0.12591474E+01
 0.90213701E-01 -0.57225484E+00 -0.50455370E+00
    
 0.19470144E+01 0.23675727E+00 
 -0.15083523E+00 0.67455938E+00 
    
 0.85896638E-01
 
 0.15968174E+03 0.37258172E+02 0.11438253E+02 0.38278336E+01
 -0.12393202E-01 -0.85080040E-01 -0.29055128E+00 -0.49855881E+00  cont
 0.12679003E+01
 -0.33256239E+00
 
 0.53440948E+00 0.18290312E+00
 -0.22643694E+00 -0.55530346E+00
 
 0.61787264E-01 
  
 0.45000000E+00

SI  DZVP2
  s: 4  p: 3  d: 1
    
 0.42393927E+05 0.62641129E+04 0.14078552E+04 0.39220396E+03
 -0.58953428E-03 -0.46483313E-02 -0.24246969E-01 -0.95678612E-01 cont
 0.12462688E+03 0.43367248E+02 0.15710237E+02
 -0.27481677E+00 -0.46402382E+00 -0.28471222E+00
    
 0.35223569E+02 0.35517236E+01 0.12528818E+01
 0.90085236E-01 -0.57645254E+00 -0.50029723E+00
    
 0.19452047E+01 0.23685472E+00 
 -0.15076395E+00 0.67463270E+00 
    
 0.85924261E-01
 
 0.36852147E+03 0.83655813E+02 0.25657685E+02 0.89925564E+01
 0.31445767E-02 0.26244676E-01 0.11962794E+00 0.32097049E+00  cont
 0.32480686E+01 0.11380729E+01
 0.47502367E+00 0.27740664E+00
 
 0.52840944E+00 0.18313368E+00
 0.22910929E+00 0.54832587E+00
 
 0.62555011E-01 
  
 0.45000000E+00

SI  TZVP 
  s: 5  p: 4  d: 1
    
 0.42393927E+05 0.62641129E+04 0.14078552E+04 0.39220396E+03
 -0.58953428E-03 -0.46483313E-02 -0.24246969E-01 -0.95678612E-01 cont
 0.12462688E+03 0.43367248E+02 0.15710237E+02
 -0.27481677E+00 -0.46402382E+00 -0.28471222E+00
    
 0.35223569E+02 0.35517236E+01 0.12528818E+01
 0.90085236E-01 -0.57645254E+00 -0.50029723E+00
    
 0.19452047E+01 

 0.23685472E+00 
    
 0.85924261E-01
 
 0.36852147E+03 0.83655813E+02 0.25657685E+02 0.89925564E+01
 0.31445767E-02 0.26244676E-01 0.11962794E+00 0.32097049E+00  cont
 0.32480686E+01 0.11380729E+01
 0.47502367E+00 0.27740664E+00
 
 0.52840944E+00

 0.18313368E+00
 
 0.62555011E-01 
  
 0.45000000E+00
:                           PHOSPHOROUS
:
P   DZVP
  s: 4  p: 3  d: 1
    
 0.20024936E+05 0.29994410E+04 0.67908680E+03 0.18994389E+03
 -0.17787227E-02 -0.13654065E-01 -0.68144155E-01 -0.23361371E+00  cont
 0.60683477E+02 0.20398225E+02
 -0.47574011E+00 -0.35354700E+00
    
 0.40594163E+02 0.41972196E+01 0.15192955E+01
 -0.92242721E-01 0.57746769E+00 0.49837731E+00
    
 0.24458587E+01 0.31161584E+00 
 0.16316950E+00 -0.67871742E+00
    
 0.11201013E+00
 
 0.19539937E+03 0.45666749E+02 0.14073067E+02 0.47572427E+01
 -0.11629824E-01 -0.81141324E-01 -0.28377064E+00 -0.50040741E+00  cont
 0.16035065E+01
 -0.33577576E+00
 
 0.70394318E+00 0.24511446E+00
 -0.24716972E+00 -0.55520247E+00
 
 0.83132404E-01 
  
 0.55000000E+00

P   DZVP2
  s: 4  p: 3  d: 1
    
 0.48863354E+05 0.72530457E+04 0.16326022E+04 0.45498230E+03
 -0.58648135E-03 -0.46007542E-02 -0.23986394E-01 -0.94786442E-01  cont
 0.14462260E+03 0.50382723E+02 0.18286690E+02
 -0.27307686E+00 -0.46356646E+00 -0.28758134E+00
    
 0.40712520E+02 0.41800189E+01 0.15111173E+01
 0.92100987E-01 -0.58204854E+00 -0.49372728E+00
    
 0.24442465E+01 0.31164179E+00 
 -0.16314314E+00 0.67910500E+00 
    
 0.11201192E+00
 
 0.43529457E+03 0.10135449E+03 0.31411659E+02 0.11075977E+02
 -0.30634921E-02 -0.24867390E-01 -0.11471122E+00 -0.31530502E+00  cont
 0.40461809E+01 0.14423814E+01
 -0.47792107E+00 -0.28001610E+00
 
 0.70023076E+00 0.24481073E+00
 -0.24842202E+00 -0.55487665E+00
 
 0.82989595E-01 
  
 0.55000000E+00

P   TZVP 
  s: 5  p: 4  d: 1
    
 0.48863354E+05 0.72530457E+04 0.16326022E+04 0.45498230E+03
 -0.58648135E-03 -0.46007542E-02 -0.23986394E-01 -0.94786442E-01  cont
 0.14462260E+03 0.50382723E+02 0.18286690E+02
 -0.27307686E+00 -0.46356646E+00 -0.28758134E+00
    
 0.40712520E+02 0.41800189E+01 0.15111173E+01
 0.92100987E-01 -0.58204854E+00 -0.49372728E+00
    
 0.24442465E+01 
    
 0.31164179E+00 
    
 0.11201192E+00
 
 0.43529457E+03 0.10135449E+03 0.31411659E+02 0.11075977E+02
 -0.30634921E-02 -0.24867390E-01 -0.11471122E+00 -0.31530502E+00  cont
 0.40461809E+01 0.14423814E+01
 -0.47792107E+00 -0.28001610E+00
 
 0.70023076E+00 
 
 0.24481073E+00
 
 0.82989595E-01 
  
 0.55000000E+00

:                            SULFUR
S   DZVP
  s: 4  p: 3  d: 1
    
 0.23050067E+05 0.34518663E+04 0.78127867E+03 0.21847653E+03
 -0.17566501E-02 -0.13489382E-01 -0.67432490E-01 -0.23186041E+00  cont
 0.69832632E+02 0.23494798E+02
 -0.47494165E+00 -0.35649923E+00
    
 0.46482377E+02 0.48807488E+01 0.18014758E+01
 -0.94042172E-01 0.58288815E+00 0.49232621E+00
    
 0.29778039E+01 0.39425100E+00 
 0.17315531E+00 -0.68543633E+00
    
 0.14170276E+00
 
 0.23133126E+03 0.54146164E+02 0.16757618E+02 0.57193197E+01
 0.11278908E-01 0.79425689E-01 0.28087994E+00 0.50201898E+00  cont
 0.19560351E+01
 0.33441462E+00
 
 0.89559123E+00 0.30942270E+00
 0.26468112E+00 0.54961272E+00
 
 0.10211569E+00 
  
 0.65000000E+00

S  DZVP2
  s: 4  p: 3  d: 1
    
 0.56415580E+05 0.83452689E+04 0.18763041E+04 0.52273216E+03
 -0.57784341E-03 -0.45512685E-02 -0.23747232E-01 -0.93980691E-01  cont
 0.16617491E+03 0.57945422E+02 0.21066745E+02
 -0.27150208E+00 -0.46315380E+00 -0.29019392E+00
    
 0.46619315E+02 0.48598910E+01 0.17911819E+01
 -0.93890057E-01 0.58778923E+00 0.48734861E+00
    
 0.29765954E+01 0.39422610E+00 
 0.17317011E+00 -0.68587364E+00
    
 0.14167322E+00
 
 0.52042034E+03 0.12042997E+03 0.37390624E+02 0.13248450E+02
 -0.29301632E-02 -0.24110078E-01 -0.11217634E+00 -0.31230673E+00  cont
 0.48881277E+01 0.17649320E+01
 -0.48011094E+00 -0.27939772E+00
 
 0.88920670E+00 0.31032832E+00
 -0.26593078E+00 -0.54484109E+00
 
 0.10306758E+00 
  
 0.65000000E+00

S   TZVP 
  s: 5  p: 4  d: 1
    
 0.56415580E+05 0.83452689E+04 0.18763041E+04 0.52273216E+03
 -0.57784341E-03 -0.45512685E-02 -0.23747232E-01 -0.93980691E-01  cont
 0.16617491E+03 0.57945422E+02 0.21066745E+02
 -0.27150208E+00 -0.46315380E+00 -0.29019392E+00
    
 0.46619315E+02 0.48598910E+01 0.17911819E+01
 -0.93890057E-01 0.58778923E+00 0.48734861E+00
    
 0.29765954E+01 
    
 0.39422610E+00 
    
 0.14167322E+00
 
 0.52042034E+03 0.12042997E+03 0.37390624E+02 0.13248450E+02
 -0.29301632E-02 -0.24110078E-01 -0.11217634E+00 -0.31230673E+00  cont
 0.48881277E+01 0.17649320E+01
 -0.48011094E+00 -0.27939772E+00
 
 0.88920670E+00 
 
 0.31032832E+00
 
 0.10306758E+00 
  
 0.65000000E+00

:                            CHLORINE
CL  DZVP
  s: 4  p: 3  d: 1
    
 0.26351458E+05 0.39450567E+04 0.89243835E+03 0.24941743E+03
 0.17324289E-02 0.13310939E-01 0.66674826E-01 0.23005057E+00  cont
 0.79721572E+02 0.26831145E+02
 0.47423069E+00 0.35952399E+00
    
 0.52785301E+02 0.56156429E+01 0.21059076E+01
 -0.95629587E-01 0.58808403E+00 0.48669823E+00
    
 0.35586149E+01 0.48479807E+00 
 0.18068912E+00 -0.68848287E+00
    
 0.17333098E+00
 
 0.27107821E+03 0.63547208E+02 0.19737109E+02 0.67889937E+01
 -0.10925667E-01 -0.77590909E-01 -0.27751585E+00 -0.50319331E+00  cont
 0.23480303E+01
 -0.33484259E+00
 
 0.11066864E+01 0.38296804E+00
 -0.27653812E+00 -0.54667677E+00
 
 0.12511330E+00 
  
 0.75000000E+00

:
CL  DZVP2
  s: 4  p: 3  d: 1
    
 0.63923626E+05 0.95259870E+04 0.21463116E+04 0.59802741E+03
 -0.57405917E-03 -0.44851460E-02 -0.23393691E-01 -0.92804948E-01  cont
 0.19002855E+03 0.66261963E+02 0.24096608E+02
 -0.26931964E+00 -0.46296130E+00 -0.29371228E+00
    
 0.52933253E+02 0.55923080E+01 0.20939560E+01
 0.95476999E-01 -0.59301606E+00 -0.48168964E+00
    
 0.35576859E+01 0.48474686E+00 
 -0.18075015E+00 0.68895935E+00 
    
 0.17330463E+00
 
 0.58320115E+03 0.13544725E+03 0.42335625E+02 0.15154270E+02
 -0.30511239E-02 -0.24912123E-01 -0.11471057E+00 -0.31474761E+00  cont
 0.56830677E+01 0.20902390E+01
 -0.47810116E+00 -0.27176954E+00
 
 0.10979970E+01 0.38227607E+00
 -0.27857900E+00 -0.54518291E+00
 
 0.12499854E+00 
  
 0.75000000E+00
:
CL  TZVP 
  s: 5  p: 4  d: 1
    
 0.63923626E+05 0.95259870E+04 0.21463116E+04 0.59802741E+03
 -0.57405917E-03 -0.44851460E-02 -0.23393691E-01 -0.92804948E-01  cont
 0.19002855E+03 0.66261963E+02 0.24096608E+02
 -0.26931964E+00 -0.46296130E+00 -0.29371228E+00
    
 0.52933253E+02 0.55923080E+01 0.20939560E+01
 0.95476999E-01 -0.59301606E+00 -0.48168964E+00
    
 0.35576859E+01 

 0.48474686E+00 
    
 0.17330463E+00
 
 0.58320115E+03 0.13544725E+03 0.42335625E+02 0.15154270E+02
 -0.30511239E-02 -0.24912123E-01 -0.11471057E+00 -0.31474761E+00  cont
 0.56830677E+01 0.20902390E+01
 -0.47810116E+00 -0.27176954E+00
 
 0.10979970E+01 

 0.38227607E+00
 
 0.12499854E+00 
  
 0.75000000E+00
:                                  ARGON
AR  DZVP
  s: 4  p: 3  d: 1
    
 0.29505774E+05 0.44192162E+04 0.10005770E+04 0.28003798E+03
 -0.17375041E-02 -0.13338093E-01 -0.66724911E-01 -0.22988867E+00  cont
 0.89712082E+02 0.30279878E+02
 -0.47357444E+00 -0.35991597E+00
    
 0.59514406E+02 0.63997779E+01 0.24314709E+01
 0.97025742E-01 -0.59339868E+00 -0.48108045E+00
    
 0.41875357E+01 0.58325618E+00 
 -0.18640004E+00 0.68956894E+00 
    
 0.20710806E+00
 
 0.31302176E+03 0.73487231E+02 0.22897988E+02 0.79322148E+01
 0.10675301E-01 0.76309535E-01 0.27512704E+00 0.50407192E+00  cont
 0.27702696E+01
 0.33462710E+00
 
 0.13318953E+01 0.46186147E+00
 0.28770004E+00 0.54475270E+00
 
 0.15021942E+00 
  
 0.85000000E+00

AR  DZVP2
  s: 4  p: 3  d: 1
    
 0.71235463E+05 0.10643433E+05 0.24025448E+04 0.67038906E+03
 -0.57860167E-03 -0.45044032E-02 -0.23445205E-01 -0.92860307E-01  cont
 0.21336001E+03 0.74558088E+02 0.27199641E+02
 -0.26919554E+00 -0.46232676E+00 -0.29399691E+00
    
 0.59696198E+02 0.63703543E+01 0.24160646E+01
 0.96854985E-01 -0.59884616E+00 -0.47553975E+00
    
 0.41865047E+01 0.58305011E+00 
 -0.18646477E+00 0.69021702E+00 
    
 0.20700694E+00
 
 0.69942564E+03 0.16358304E+03 0.51146016E+02 0.18256058E+02
 0.27768847E-02 0.22706923E-01 0.10738371E+00 0.30607003E+00  cont
 0.68415056E+01 0.25182546E+01
 0.48295778E+00 0.28163443E+00
 
 0.13256352E+01 0.46219470E+00
 0.28850042E+00 0.54346877E+00
 
 0.15037116E+00 
  
 0.85000000E+00

AR  TZVP
  s: 5  p: 4  d: 1
    
 0.71235463E+05 0.10643433E+05 0.24025448E+04 0.67038906E+03
 -0.57860167E-03 -0.45044032E-02 -0.23445205E-01 -0.92860307E-01  cont
 0.21336001E+03 0.74558088E+02 0.27199641E+02
 -0.26919554E+00 -0.46232676E+00 -0.29399691E+00
    
 0.59696198E+02 0.63703543E+01 0.24160646E+01
 0.96854985E-01 -0.59884616E+00 -0.47553975E+00
    
 0.41865047E+01 
    
 0.58305011E+00 
    
 0.20700694E+00
 
 0.69942564E+03 0.16358304E+03 0.51146016E+02 0.18256058E+02
 0.27768847E-02 0.22706923E-01 0.10738371E+00 0.30607003E+00  cont
 0.68415056E+01 0.25182546E+01
 0.48295778E+00 0.28163443E+00
 
 0.13256352E+01 
 
 0.46219470E+00
 
 0.15037116E+00 
  
 0.85000000E+00

:
:                 FOURTH ROW ELEMENTS
:                 ORBITAL BASIS SETS
:
:                        POTASSIUM
K   DZVP
  s: 5  p: 4  d: 1
    
 0.33078648E+05 0.49549024E+04 0.11221308E+04 0.31420807E+03
 0.17266765E-02 0.13251419E-01 0.66314229E-01 0.22867243E+00  cont
 0.10077629E+03 0.34061348E+02
 0.47266980E+00 0.36214165E+00
    
 0.66602931E+02 0.72644563E+01 0.28036787E+01
 -0.98450660E-01 0.59416193E+00 0.47991392E+00
    
 0.48324390E+01 0.70581885E+00 0.26975199E+00
 0.19727087E+00 -0.69564730E+00 -0.42287812E+00
    
 0.35335352E+00 0.42091634E-01 
 -0.12467830E+00 0.73836333E+00 
    
 0.17448476E-01
 
 0.36751146E+03 0.86260858E+02 0.26897968E+02 0.93541248E+01
 -0.10033317E-01 -0.72734838E-01 -0.26790433E+00 -0.50383667E+00  cont
 0.32920581E+01
 -0.34262241E+00
 
 0.16209189E+01 0.58724934E+00 
 -0.29527218E+00 -0.55635660E+00
 
 0.20469413E+00
 
 0.04080000E+00
  
 0.07410000E+00
  
:                        CALCIUM
CA  DZVP
  s: 5  p: 4  d: 2
    
 0.36930009E+05 0.55317097E+04 0.12527414E+04 0.35081485E+03
 0.17128216E-02 0.13144862E-01 0.65835911E-01 0.22736058E+00  cont
 0.11259658E+03 0.38088793E+02
 0.47184691E+00 0.36449950E+00
    
 0.74116470E+02 0.81843738E+01 0.32003684E+01
 -0.99743573E-01 0.59521126E+00 0.47859932E+00
    
 0.55283278E+01 0.83789520E+00 0.33303329E+00
 0.20718525E+00 -0.71058044E+00 -0.41099171E+00
    
 0.50885978E+00 0.66024382E-01 
 -0.15455107E+00 0.72416432E+00 
    
 0.26858954E-01
 
 0.42134592E+03 0.98975989E+02 0.30928698E+02 0.10811661E+02
 -0.96865317E-02 -0.70759944E-01 -0.26365926E+00 -0.50336508E+00  cont
 0.38379800E+01
 -0.34663083E+00
 
 0.19276019E+01 0.72568230E+00 
 -0.30269803E+00 -0.55916276E+00
 
 0.26598628E+00
 
 0.05810000E+00

 7.203114614781 1.898807423215 0.592497360677 0.1840388053272
 0.05694776 0.19125184 0.29123018 0.29468694
  
 5.5704426473164E-2

:                         SCANDIUM
SC  DZVP
  s: 5  p: 3  d: 2
    
 0.40355909E+05 0.60505154E+04 0.13724765E+04 0.38524704E+03
 0.17333138E-02 0.13278855E-01 0.66304085E-01 0.22810442E+00  cont
 0.12403194E+03 0.42119423E+02
 0.47136569E+00 0.36337636E+00
    
 0.82158698E+02 0.91349838E+01 0.36000856E+01
 -0.10081755E+00 0.60057601E+00 0.47318604E+00
    
 0.63109738E+01 0.96549478E+00 0.37893515E+00
 0.20966180E+00 -0.70888477E+00 -0.41495890E+00
    
 0.53398656E+00 0.73698595E-01 
 -0.15187664E+00 0.70297406E+00 
    
 0.28720456E-01
 
 0.48311966E+03 0.11324773E+03 0.35357254E+02 0.12379204E+02
 0.92716108E-02 0.68634949E-01 0.25997164E+00 0.50433572E+00  cont
 0.44103725E+01
 0.34958900E+00
 
 0.22242378E+01 0.83389916E+00 0.30345079E+00
 0.31023152E+00 0.55513982E+00 0.26173534E+00
 
 0.07650000E+00
  
 0.10662903E+02 0.27196219E+01 0.76770852E+00 0.18863365E+00
 0.64475183E-01 0.26369057E+00 0.47189547E+00 0.54521499E+00
  
 0.36000000E-01

SC  DZVP2
  s: 5  p: 4  d: 2
    
 0.40355909E+05 0.60505154E+04 0.13724765E+04 0.38524704E+03
 0.17333138E-02 0.13278855E-01 0.66304085E-01 0.22810442E+00  cont
 0.12403194E+03 0.42119423E+02
 0.47136569E+00 0.36337636E+00
    
 0.82158698E+02 0.91349838E+01 0.36000856E+01
 -0.10081755E+00 0.60057601E+00 0.47318604E+00
    
 0.63109738E+01 0.96549478E+00 0.37893515E+00
 0.20966180E+00 -0.70888477E+00 -0.41495890E+00
    
 0.53398656E+00 0.73698595E-01 
 -0.15187664E+00 0.70297406E+00 
    
 0.28720456E-01
 
 0.48311966E+03 0.11324773E+03 0.35357254E+02 0.12379204E+02
 0.92716108E-02 0.68634949E-01 0.25997164E+00 0.50433572E+00  cont
 0.44103725E+01
 0.34958900E+00
 
 0.22242378E+01 0.83389916E+00 
 0.31023152E+00 0.55513982E+00 
 
 0.30345079E+00
 
 0.07650000E+00
  
 0.10662903E+02 0.27196219E+01 0.76770852E+00 0.18863365E+00
 0.64475183E-01 0.26369057E+00 0.47189547E+00 0.54521499E+00
  
 0.36000000E-01

:                         TITANIUM
TI  DZVP
  s: 5  p: 3  d: 2
    
 0.44446896E+05 0.66644146E+04 0.15119865E+04 0.42455078E+03
 -0.17276037E-02 -0.13232943E-01 -0.66083718E-01 -0.22746908E+00  cont
 0.13680023E+03 0.46514535E+02
 -0.47087553E+00 -0.36449013E+00
    
 0.90604942E+02 0.10146858E+02 0.40277164E+01
 -0.10181263E+00 0.60429921E+00 0.46944503E+00
    
 0.71270376E+01 0.11031403E+01 0.43244951E+00
 -0.21271456E+00 0.71041177E+00 0.41533071E+00
    
 0.61557515E+00 0.85858074E-01 
 -0.15265739E+00 0.66103502E+00 
    
 0.33103287E-01
 
 0.53766903E+03 0.12636414E+03 0.39571379E+02 0.13921750E+02
 0.92079975E-02 0.68186751E-01 0.25913240E+00 0.50463902E+00  cont
 0.49916806E+01
 0.34877872E+00
 
 0.25478908E+01 0.95979351E+00 0.35020635E+00
 0.31521968E+00 0.55340101E+00 0.25775434E+00
 
 0.08550000E+00
  
 0.13520016E+02 0.35074523E+01 0.10220948E+01 0.26278615E+00
 -0.62413710E-01 -0.26480159E+00 -0.47976999E+00 -0.52405575E+00
  
 0.51000000E-01

TI  DZVP2
  s: 5  p: 4  d: 2
    
 0.44446896E+05 0.66644146E+04 0.15119865E+04 0.42455078E+03
 -0.17276037E-02 -0.13232943E-01 -0.66083718E-01 -0.22746908E+00  cont
 0.13680023E+03 0.46514535E+02
 -0.47087553E+00 -0.36449013E+00
    
 0.90604942E+02 0.10146858E+02 0.40277164E+01
 -0.10181263E+00 0.60429921E+00 0.46944503E+00
    
 0.71270376E+01 0.11031403E+01 0.43244951E+00
 -0.21271456E+00 0.71041177E+00 0.41533071E+00
    
 0.61557515E+00 0.85858074E-01 
 -0.15265739E+00 0.66103502E+00 
    
 0.33103287E-01
 
 0.53766903E+03 0.12636414E+03 0.39571379E+02 0.13921750E+02
 0.92079975E-02 0.68186751E-01 0.25913240E+00 0.50463902E+00  cont
 0.49916806E+01
 0.34877872E+00
 
 0.25478908E+01 0.95979351E+00 
 0.31521968E+00 0.55340101E+00 
 
 0.35020635E+00
 
 0.08550000E+00
  
 0.13520016E+02 0.35074523E+01 0.10220948E+01 0.26278615E+00
 -0.62413710E-01 -0.26480159E+00 -0.47976999E+00 -0.52405575E+00
  
 0.51000000E-01

:                        VANADIUM
V   DZVP
  s: 5  p: 3  d: 2
    
 0.49145258E+05 0.73661009E+04 0.16699598E+04 0.46843959E+03
 -0.17048647E-02 -0.13068546E-01 -0.65404365E-01 -0.22592856E+00  cont
 0.15082100E+03 0.51252776E+02
 -0.47044029E+00 -0.36702733E+00
    
 0.99480180E+02 0.11213264E+02 0.44778252E+01
 -0.10271694E+00 0.60769802E+00 0.46607312E+00
    
 0.79913350E+01 0.12468158E+01 0.48739336E+00
 -0.21478088E+00 0.71090444E+00 0.41627090E+00
    
 0.69088903E+00 0.96986550E-01 
 -0.14902598E+00 0.63308966E+00 
    
 0.36763978E-01
 
 0.59512707E+03 0.14000397E+03 0.43941377E+02 0.15526952E+02
 -0.91589108E-02 -0.67965657E-01 -0.25889917E+00 -0.50501160E+00  cont
 0.55992158E+01
 -0.34734433E+00
 
 0.28892723E+01 0.10908884E+01 0.39812973E+00
 -0.31914860E+00 -0.55183655E+00 -0.25524257E+00
 
 0.09510000E+00
  
 0.16220473E+02 0.42547424E+01 0.12617714E+01 0.33151450E+00
 -0.61638648E-01 -0.26686077E+00 -0.48444431E+00 -0.51113551E+00
  
 0.64000000E-01

V   DZVP2
  s: 5  p: 4  d: 2
    
 0.49145258E+05 0.73661009E+04 0.16699598E+04 0.46843959E+03
 -0.17048647E-02 -0.13068546E-01 -0.65404365E-01 -0.22592856E+00  cont
 0.15082100E+03 0.51252776E+02
 -0.47044029E+00 -0.36702733E+00
    
 0.99480180E+02 0.11213264E+02 0.44778252E+01
 -0.10271694E+00 0.60769802E+00 0.46607312E+00
    
 0.79913350E+01 0.12468158E+01 0.48739336E+00
 -0.21478088E+00 0.71090444E+00 0.41627090E+00
    
 0.69088903E+00 0.96986550E-01 
 -0.14902598E+00 0.63308966E+00 
    
 0.36763978E-01
 
 0.59512707E+03 0.14000397E+03 0.43941377E+02 0.15526952E+02
 -0.91589108E-02 -0.67965657E-01 -0.25889917E+00 -0.50501160E+00  cont
 0.55992158E+01
 -0.34734433E+00
 
 0.28892723E+01 0.10908884E+01 
 -0.31914860E+00 -0.55183655E+00
 
 0.39812973E+00
 
 0.09510000E+00
  
 0.16220473E+02 0.42547424E+01 0.12617714E+01 0.33151450E+00
 -0.61638648E-01 -0.26686077E+00 -0.48444431E+00 -0.51113551E+00
  
 0.64000000E-01

:                      CHROMIUM
CR  DZVP
  s: 5  p: 3  d: 2
    
 0.52778745E+05 0.79183017E+04 0.17984871E+04 0.50592005E+03
 0.17353805E-02 0.13277517E-01 0.66190554E-01 0.22738481E+00  cont
 0.16350058E+03 0.55817634E+02
 0.47007283E+00 0.36476534E+00
    
 0.10880412E+03 0.12327387E+02 0.49462295E+01
 0.10351710E+00 -0.61151690E+00 -0.46230659E+00
    
 0.89020446E+01 0.13966976E+01 0.54401415E+00
 0.21619006E+00 -0.71092027E+00 -0.41735879E+00
    
 0.77736615E+00 0.10703581E+00 
 0.14687214E+00 -0.61484955E+00
    
 0.39907666E-01
 
 0.66171204E+03 0.15531302E+03 0.48743080E+02 0.17266083E+02
 -0.89894064E-02 -0.67276785E-01 -0.25797560E+00 -0.50557997E+00  cont
 0.62507652E+01
 -0.34714143E+00
 
 0.32504865E+01 0.12284088E+01 0.44784370E+00
 -0.32202079E+00 -0.55047775E+00 -0.25390239E+00
 
 0.10510000E+00
  
 0.18832973E+02 0.49791203E+01 0.14918696E+01 0.39585125E+00
 -0.61703962E-01 -0.27010797E+00 -0.48809885E+00 -0.50111055E+00
  
 0.75000000E-01

CR  DZVP2
  s: 5  p: 4  d: 2
    
 0.52778745E+05 0.79183017E+04 0.17984871E+04 0.50592005E+03
 0.17353805E-02 0.13277517E-01 0.66190554E-01 0.22738481E+00  cont
 0.16350058E+03 0.55817634E+02
 0.47007283E+00 0.36476534E+00
    
 0.10880412E+03 0.12327387E+02 0.49462295E+01
 0.10351710E+00 -0.61151690E+00 -0.46230659E+00
    
 0.89020446E+01 0.13966976E+01 0.54401415E+00
 0.21619006E+00 -0.71092027E+00 -0.41735879E+00
    
 0.77736615E+00 0.10703581E+00 
 0.14687214E+00 -0.61484955E+00
    
 0.39907666E-01
 
 0.66171204E+03 0.15531302E+03 0.48743080E+02 0.17266083E+02
 -0.89894064E-02 -0.67276785E-01 -0.25797560E+00 -0.50557997E+00  cont
 0.62507652E+01
 -0.34714143E+00
 
 0.32504865E+01 0.12284088E+01 
 -0.32202079E+00 -0.55047775E+00
 
 0.44784370E+00
 
 0.10510000E+00
  
 0.18832973E+02 0.49791203E+01 0.14918696E+01 0.39585125E+00
 -0.61703962E-01 -0.27010797E+00 -0.48809885E+00 -0.50111055E+00
  
 0.75000000E-01

:                        MANGANESE
MN  DZVP
  s: 5  p: 3  d: 2
    
 0.58745692E+05 0.88030393E+04 0.19949330E+04 0.55935363E+03
 0.16834860E-02 0.12910309E-01 0.64722594E-01 0.22426573E+00  cont
 0.18012270E+03 0.61262134E+02
 0.46969494E+00 0.36980486E+00
    
 0.11852803E+03 0.13504946E+02 0.54431834E+01
 0.10427704E+00 -0.61400012E+00 -0.45989715E+00
    
 0.98569553E+01 0.15552163E+01 0.60461780E+00
 0.21755469E+00 -0.71088593E+00 -0.41837028E+00
    
 0.86296550E+00 0.11671877E+00 
 0.14376106E+00 -0.60090083E+00
    
 0.42859099E-01
 
 0.74092768E+03 0.17391313E+03 0.54518491E+02 0.19300414E+02
 -0.86419915E-02 -0.65224880E-01 -0.25404174E+00 -0.50615193E+00  cont
 0.69893098E+01
 -0.35142320E+00
 
 0.36326196E+01 0.13738297E+01 0.50142895E+00
 -0.32483587E+00 -0.54964146E+00 -0.25172730E+00
 
 0.11290000E+00
  
 0.21257958E+02 0.56579946E+01 0.17029455E+01 0.45188689E+00
 0.63027543E-01 0.27540605E+00 0.49168449E+00 0.49148305E+00
  
 0.82000000E-01

MN  DZVP2
  s: 5  p: 4  d: 2
    
 0.58745692E+05 0.88030393E+04 0.19949330E+04 0.55935363E+03
 0.16834860E-02 0.12910309E-01 0.64722594E-01 0.22426573E+00  cont
 0.18012270E+03 0.61262134E+02
 0.46969494E+00 0.36980486E+00
    
 0.11852803E+03 0.13504946E+02 0.54431834E+01
 0.10427704E+00 -0.61400012E+00 -0.45989715E+00
    
 0.98569553E+01 0.15552163E+01 0.60461780E+00
 0.21755469E+00 -0.71088593E+00 -0.41837028E+00
    
 0.86296550E+00 0.11671877E+00 
 0.14376106E+00 -0.60090083E+00
    
 0.42859099E-01
 
 0.74092768E+03 0.17391313E+03 0.54518491E+02 0.19300414E+02
 -0.86419915E-02 -0.65224880E-01 -0.25404174E+00 -0.50615193E+00  cont
 0.69893098E+01
 -0.35142320E+00
 
 0.36326196E+01 0.13738297E+01 
 -0.32483587E+00 -0.54964146E+00
 
 0.50142895E+00
 
 0.11290000E+00
  
 0.21257958E+02 0.56579946E+01 0.17029455E+01 0.45188689E+00
 0.63027543E-01 0.27540605E+00 0.49168449E+00 0.49148305E+00
  
 0.82000000E-01

:                         IRON  
FE  DZVP
  s: 5  p: 3  d: 2
    
 0.61430227E+05 0.92221760E+04 0.20975969E+04 0.59149040E+03
 0.17558777E-02 0.13416923E-01 0.66695446E-01 0.22820507E+00  cont
 0.19186062E+03 0.65826328E+02
 0.46944994E+00 0.36355687E+00
    
 0.12874074E+03 0.14718133E+02 0.59507543E+01
 -0.10491683E+00 0.61796194E+00 0.45600933E+00
    
 0.10859879E+02 0.17194471E+01 0.66645315E+00
 0.21849165E+00 -0.71133102E+00 -0.41869468E+00
    
 0.97547614E+00 0.12311432E+00 
 -0.14410538E+00 0.59581339E+00 
    
 0.44879498E-01
 
 0.78062030E+03 0.18400622E+03 0.58084467E+02 0.20759795E+02
 -0.91216838E-02 -0.68003994E-01 -0.25976807E+00 -0.50601385E+00  cont
 0.75934515E+01
 -0.34190824E+00
 
 0.40279173E+01 0.15264700E+01 0.55737016E+00
 -0.32729618E+00 -0.54814998E+00 -0.25066287E+00
 
 0.12100000E+00
  
 0.23929316E+02 0.63999013E+01 0.19317417E+01 0.51152789E+00
 -0.63492089E-01 -0.27839134E+00 -0.49381955E+00 -0.48626945E+00
  
 0.90000000E-01

FE  DZVP2
  s: 5  p: 4  d: 2
    
 0.61430227E+05 0.92221760E+04 0.20975969E+04 0.59149040E+03
 0.17558777E-02 0.13416923E-01 0.66695446E-01 0.22820507E+00  cont
 0.19186062E+03 0.65826328E+02
 0.46944994E+00 0.36355687E+00
    
 0.12874074E+03 0.14718133E+02 0.59507543E+01
 -0.10491683E+00 0.61796194E+00 0.45600933E+00
    
 0.10859879E+02 0.17194471E+01 0.66645315E+00
 0.21849165E+00 -0.71133102E+00 -0.41869468E+00
    
 0.97547614E+00 0.12311432E+00 
 -0.14410538E+00 0.59581339E+00 
    
 0.44879498E-01
 
 0.78062030E+03 0.18400622E+03 0.58084467E+02 0.20759795E+02
 -0.91216838E-02 -0.68003994E-01 -0.25976807E+00 -0.50601385E+00  cont
 0.75934515E+01
 -0.34190824E+00
 
 0.40279173E+01 0.15264700E+01 
 -0.32729618E+00 -0.54814998E+00
 
 0.55737016E+00
 
 0.12100000E+00
  
 0.23929316E+02 0.63999013E+01 0.19317417E+01 0.51152789E+00
 -0.63492089E-01 -0.27839134E+00 -0.49381955E+00 -0.48626945E+00
  
 0.90000000E-01

:                         COBALT 
CO  DZVP
  s: 5  p: 3  d: 2
    
 0.67981042E+05 0.10193428E+05 0.23131814E+04 0.65007779E+03
 -0.17023802E-02 -0.13038621E-01 -0.65188001E-01 -0.22502897E+00  cont
 0.21006015E+03 0.71774498E+02
 -0.46914571E+00 -0.36865863E+00
    
 0.13932221E+03 0.16002786E+02 0.64919353E+01
 0.10555778E+00 -0.62009544E+00 -0.45397250E+00
    
 0.11910394E+02 0.18904105E+01 0.73022776E+00
 -0.21912727E+00 0.71142009E+00 0.41922483E+00
    
 0.10586020E+01 0.13009048E+00 
 0.13928931E+00 -0.58643150E+00
    
 0.46853013E-01
 
 0.85279139E+03 0.20106964E+03 0.63521345E+02 0.22748649E+02
 -0.90265666E-02 -0.67509837E-01 -0.25902515E+00 -0.50639189E+00  cont
 0.83427755E+01
 -0.34185211E+00
 
 0.44476087E+01 0.16858780E+01 0.61512086E+00
 -0.32895347E+00 -0.54729942E+00 -0.25001626E+00
 
 0.12660000E+00
  
 0.26532469E+02 0.71258945E+01 0.21547673E+01 0.56885998E+00
 -0.64475898E-01 -0.28236592E+00 -0.49565362E+00 -0.48065195E+00
  
 0.97000000E-01
  
CO  DZVP2
  s: 5  p: 4  d: 2
    
 0.67981042E+05 0.10193428E+05 0.23131814E+04 0.65007779E+03
 -0.17023802E-02 -0.13038621E-01 -0.65188001E-01 -0.22502897E+00  cont
 0.21006015E+03 0.71774498E+02
 -0.46914571E+00 -0.36865863E+00
    
 0.13932221E+03 0.16002786E+02 0.64919353E+01
 0.10555778E+00 -0.62009544E+00 -0.45397250E+00
    
 0.11910394E+02 0.18904105E+01 0.73022776E+00
 -0.21912727E+00 0.71142009E+00 0.41922483E+00
    
 0.10586020E+01 0.13009048E+00 
 0.13928931E+00 -0.58643150E+00
    
 0.46853013E-01
 
 0.85279139E+03 0.20106964E+03 0.63521345E+02 0.22748649E+02
 -0.90265666E-02 -0.67509837E-01 -0.25902515E+00 -0.50639189E+00  cont
 0.83427755E+01
 -0.34185211E+00
 
 0.44476087E+01 0.16858780E+01 
 -0.32895347E+00 -0.54729942E+00
 
 0.61512086E+00
 
 0.12660000E+00
  
 0.26532469E+02 0.71258945E+01 0.21547673E+01 0.56885998E+00
 -0.64475898E-01 -0.28236592E+00 -0.49565362E+00 -0.48065195E+00
  
 0.97000000E-01
  
:                         NICKEL
NI  DZVP
  s: 5  p: 3  d: 2
    
 0.72509042E+05 0.10879176E+05 0.24716460E+04 0.69582606E+03
 -0.17207501E-02 -0.13163748E-01 -0.65656712E-01 -0.22590269E+00  cont
 0.22537504E+03 0.77240158E+02
 -0.46891569E+00 -0.36728407E+00
    
 0.15036412E+03 0.17331092E+02 0.70488555E+01
 0.10612155E+00 -0.62289972E+00 -0.45126310E+00
    
 0.13006396E+02 0.20682821E+01 0.79634338E+00
 -0.21955898E+00 0.71117415E+00 0.41996867E+00
    
 0.11407612E+01 0.13649558E+00 
 0.13450418E+00 -0.57911795E+00
    
 0.48640151E-01
 
 0.92537823E+03 0.21837918E+03 0.69075894E+02 0.24794186E+02
 0.89808008E-02 0.67256833E-01 0.25871992E+00 0.50670798E+00  cont
 0.91177270E+01
 0.34125309E+00
 
 0.48865556E+01 0.18520568E+01 0.67489048E+00
 0.33026536E+00 0.54657530E+00 0.24968217E+00
 
 0.13510000E+00
  
 0.29229659E+02 0.78789145E+01 0.23861160E+01 0.62824374E+00
 -0.65395291E-01 -0.28601297E+00 -0.49715644E+00 -0.47563686E+00
  
 0.10400000E+00

NI  DZVP2
  s: 5  p: 4  d: 2
    
 0.72509042E+05 0.10879176E+05 0.24716460E+04 0.69582606E+03
 -0.17207501E-02 -0.13163748E-01 -0.65656712E-01 -0.22590269E+00  cont
 0.22537504E+03 0.77240158E+02
 -0.46891569E+00 -0.36728407E+00
    
 0.15036412E+03 0.17331092E+02 0.70488555E+01
 0.10612155E+00 -0.62289972E+00 -0.45126310E+00
    
 0.13006396E+02 0.20682821E+01 0.79634338E+00
 -0.21955898E+00 0.71117415E+00 0.41996867E+00
    
 0.11407612E+01 0.13649558E+00 
 0.13450418E+00 -0.57911795E+00
    
 0.48640151E-01
 
 0.92537823E+03 0.21837918E+03 0.69075894E+02 0.24794186E+02
 0.89808008E-02 0.67256833E-01 0.25871992E+00 0.50670798E+00  cont
 0.91177270E+01
 0.34125309E+00
 
 0.48865556E+01 0.18520568E+01 
 0.33026536E+00 0.54657530E+00 
 
 0.67489048E+00
 
 0.13510000E+00
  
 0.29229659E+02 0.78789145E+01 0.23861160E+01 0.62824374E+00
 -0.65395291E-01 -0.28601297E+00 -0.49715644E+00 -0.47563686E+00
  
 0.10400000E+00

:                        COPPER
CU  DZVP
  s: 5  p: 3  d: 2
    
 0.80289620E+05 0.12027338E+05 0.27242575E+04 0.76356173E+03
 -0.16562161E-02 -0.12709252E-01 -0.63851764E-01 -0.22211535E+00  cont
 0.24606459E+03 0.83868363E+02
 -0.46860492E+00 -0.37337930E+00
    
 0.16179726E+03 0.18725375E+02 0.76364165E+01
 0.10667589E+00 -0.62459431E+00 -0.44967238E+00
    
 0.14150829E+02 0.22528304E+01 0.86448861E+00
 -0.21980770E+00 0.71087602E+00 0.42065715E+00
    
 0.12230963E+01 0.14297710E+00 
 0.13031688E+00 -0.57086009E+00
    
 0.50460335E-01
 
 0.10029745E+04 0.23662530E+03 0.74892321E+02 0.26931252E+02
 0.89143107E-02 0.66970428E-01 0.25841474E+00 0.50706202E+00  cont
 0.99267759E+01
 0.34075115E+00
 
 0.53446648E+01 0.20247480E+01 0.73663308E+00
 0.33137451E+00 0.54598708E+00 0.24947671E+00
 
 0.14100000E+00
  
 0.31812667E+02 0.86058716E+01 0.26093411E+01 0.68521349E+00
 -0.66889144E-01 -0.29074008E+00 -0.49841945E+00 -0.46972514E+00
  
 0.11000000E+00

:                           COPPER
CU  DZVP2
  s: 5  p: 4  d: 2
    
 0.80289620E+05 0.12027338E+05 0.27242575E+04 0.76356173E+03
 -0.16562161E-02 -0.12709252E-01 -0.63851764E-01 -0.22211535E+00  cont
 0.24606459E+03 0.83868363E+02
 -0.46860492E+00 -0.37337930E+00
    
 0.16179726E+03 0.18725375E+02 0.76364165E+01
 0.10667589E+00 -0.62459431E+00 -0.44967238E+00
    
 0.14150829E+02 0.22528304E+01 0.86448861E+00
 -0.21980770E+00 0.71087602E+00 0.42065715E+00
    
 0.12230963E+01 0.14297710E+00 
 0.13031688E+00 -0.57086009E+00
    
 0.50460335E-01
 
 0.10029745E+04 0.23662530E+03 0.74892321E+02 0.26931252E+02
 0.89143107E-02 0.66970428E-01 0.25841474E+00 0.50706202E+00  cont
 0.99267759E+01
 0.34075115E+00
 
 0.53446648E+01 0.20247480E+01 
 0.33137451E+00 0.54598708E+00 
 
 0.73663308E+00
 
 0.14100000E+00
  
 0.31812667E+02 0.86058716E+01 0.26093411E+01 0.68521349E+00
 -0.66889144E-01 -0.29074008E+00 -0.49841945E+00 -0.46972514E+00
  
 0.11000000E+00

:                           ZINC
ZN  DZVP
  s: 5  p: 3  d: 2
    
 0.82904220E+05 0.12444232E+05 0.28298529E+04 0.79789288E+03
 -0.17313186E-02 -0.13232835E-01 -0.65890077E-01 -0.22619884E+00  cont
 0.25906473E+03 0.89079512E+02
 -0.46839115E+00 -0.36691557E+00
    
 0.17368172E+03 0.20166497E+02 0.82470819E+01
 -0.10716236E+00 0.62649824E+00 0.44782060E+00
    
 0.15316584E+02 0.24557493E+01 0.95487774E+00
 -0.22123747E+00 0.70919114E+00 0.42241465E+00
    
 0.14100034E+01 0.16934407E+00 
 -0.14046519E+00 0.60127450E+00 
    
 0.59221002E-01
 
 0.10851785E+04 0.25618093E+03 0.81140253E+02 0.29222520E+02
 0.88260261E-02 0.66445494E-01 0.25742462E+00 0.50714550E+00  cont
 0.10793695E+02
 0.34143564E+00
 
 0.58412904E+01 0.22263660E+01 0.82116401E+00
 0.33121254E+00 0.54637606E+00 0.24681443E+00
 
 0.16900000E+00
  
 0.38093467E+02 0.10423756E+02 0.32532521E+01 0.90975287E+00
 -0.60696644E-01 -0.27605004E+00 -0.49826379E+00 -0.46898980E+00
  
 0.17200000E+00

ZN  DZVP2
  s: 5  p: 4  d: 2
    
 0.82904220E+05 0.12444232E+05 0.28298529E+04 0.79789288E+03
 -0.17313186E-02 -0.13232835E-01 -0.65890077E-01 -0.22619884E+00  cont
 0.25906473E+03 0.89079512E+02
 -0.46839115E+00 -0.36691557E+00
    
 0.17368172E+03 0.20166497E+02 0.82470819E+01
 -0.10716236E+00 0.62649824E+00 0.44782060E+00
    
 0.15316584E+02 0.24557493E+01 0.95487774E+00
 -0.22123747E+00 0.70919114E+00 0.42241465E+00
    
 0.14100034E+01 0.16934407E+00 
 -0.14046519E+00 0.60127450E+00 
    
 0.59221002E-01
 
 0.10851785E+04 0.25618093E+03 0.81140253E+02 0.29222520E+02
 0.88260261E-02 0.66445494E-01 0.25742462E+00 0.50714550E+00  cont
 0.10793695E+02
 0.34143564E+00
 
 0.58412904E+01 0.22263660E+01 
 0.33121254E+00 0.54637606E+00 
 
 0.82116401E+00
 
 0.16900000E+00
  
 0.38093467E+02 0.10423756E+02 0.32532521E+01 0.90975287E+00
 -0.60696644E-01 -0.27605004E+00 -0.49826379E+00 -0.46898980E+00
  
 0.17200000E+00

:                     GALLIUM
GA  DZVP
  s: 5  p: 4  d: 2
    
 0.88374045E+05 0.13268905E+05 0.30187941E+04 0.85178841E+03
 0.17358107E-02 0.13260532E-01 0.65975943E-01 0.22626583E+00  cont
 0.27687619E+03 0.95345324E+02
 0.46810109E+00 0.36688218E+00
    
 0.18596030E+03 0.21670749E+02 0.88893894E+01
 -0.10764533E+00 0.62772653E+00 0.44663790E+00
    
 0.16533626E+02 0.26666023E+01 0.10515414E+01
 0.22265954E+00 -0.70817740E+00 -0.42338458E+00
    
 0.15625465E+01 0.20761147E+00 
 -0.15772527E+00 0.63911785E+00 
    
 0.73543890E-01
 
 0.11631955E+04 0.27489727E+03 0.87255989E+02 0.31534864E+02
 -0.88407397E-02 -0.66506226E-01 -0.25736021E+00 -0.50652975E+00  cont
 0.11700611E+02
 -0.34114499E+00
 
 0.63876673E+01 0.24667022E+01 0.93619401E+00
 -0.32781640E+00 -0.54244222E+00 -0.25055938E+00
 
 0.38127270E+00 0.12550959E+00 
 -0.21248639E+00 -0.55175482E+00
 
 0.41071664E-01
  
 0.38058272E+02 0.10361522E+02 0.31603523E+01 0.84771945E+00
 -0.70035840E-01 -0.30525740E+00 -0.51672604E+00 -0.42780520E+00
  
 0.16200000E+00

:                     GERMANIUM
GE  DZVP
  s: 5  p: 4  d: 2
    
 0.10066623E+06 0.15061973E+05 0.34041946E+04 0.95121698E+03
 -0.16005793E-02 -0.12309409E-01 -0.62206171E-01 -0.21834364E+00  cont
 0.30564810E+03 0.10388138E+03
 -0.46753751E+00 -0.37971324E+00
    
 0.19854803E+03 0.23264865E+02 0.95835004E+01
 -0.10816694E+00 0.62661300E+00 0.44778998E+00
    
 0.17789102E+02 0.28895735E+01 0.11609259E+01
 -0.22474438E+00 0.70960977E+00 0.42198273E+00
    
 0.17840838E+01 0.25387404E+00 
 -0.17767657E+00 0.66761280E+00
    
 0.92198089E-01
 
 0.13169306E+04 0.31076532E+03 0.98041716E+02 0.35149991E+02
 0.80488769E-02 0.61606635E-01 0.24688944E+00 0.50664835E+00  cont
 0.12949247E+02
 0.35571048E+00
 
 0.69476147E+01 0.27037889E+01 0.10484809E+01
 0.32776485E+00 0.54289766E+00 0.24668856E+00
 
 0.44171254E+00 0.16060936E+00
 0.25576960E+00 0.53783289E+00
 
 0.57407579E-01 
  
 0.43663751E+02 0.11979210E+02 0.37227864E+01 0.10423715E+01
 0.66464794E-01 0.29829687E+00 0.52032598E+00 0.42028936E+00
  
 0.21800000E+00

:                     ARSENIC
AS  DZVP
  s: 5  p: 4  d: 2
    
 0.10736586E+06 0.16064053E+05 0.36306518E+04 0.10145283E+04
 -0.15957244E-02 -0.12272200E-01 -0.62036200E-01 -0.21786565E+00  cont
 0.32607429E+03 0.11086519E+03
 -0.46721078E+00 -0.38057830E+00
    
 0.21162924E+03 0.24887312E+02 0.10286190E+02
 -0.10860483E+00 0.62711795E+00 0.44730107E+00
    
 0.19090514E+02 0.31202838E+01 0.12751351E+01
 -0.22701131E+00 0.71378232E+00 0.41802476E+00
    
 0.20202307E+01 0.30320856E+00 
 -0.19448639E+00 0.68715012E+00 
    
 0.11132560E+00
 
 0.14162409E+04 0.33427920E+03 0.10552400E+03 0.37887140E+02
 0.79561272E-02 0.61037286E-01 0.24549262E+00 0.50625538E+00  cont
 0.13987612E+02
 0.35733748E+00
 
 0.75293458E+01 0.29610269E+01 0.11706232E+01
 -0.32758036E+00 -0.54296514E+00 -0.24337570E+00
 
 0.19623058E+00 0.52522095E+00 
 -0.54879515E+00 -0.27959734E+00
 
 0.70474750E-01
  
 0.49428820E+02 0.13648114E+02 0.43052959E+01 0.12466446E+01
 0.63674396E-01 0.29272502E+00 0.52334169E+00 0.41420438E+00
  
 0.27300000E+00 

:                     SELENIUM
SE  DZVP
  s: 5  p: 4  d: 2
    
 0.11428876E+06 0.17099740E+05 0.38646762E+04 0.10799532E+04
 -0.15910384E-02 -0.12236202E-01 -0.61872269E-01 -0.21740275E+00  cont
 0.34718530E+03 0.11808358E+03
 -0.46689167E+00 -0.38142019E+00
    
 0.22512776E+03 0.26565068E+02 0.11015583E+02
 -0.10902018E+00 0.62756293E+00 0.44686605E+00
    
 0.20437016E+02 0.33604973E+01 0.13940505E+01
 -0.22942094E+00 0.71970399E+00 0.41254176E+00
    
 0.22645278E+01 0.35443571E+00 
 -0.20832194E+00 0.70415153E+00 
    
 0.13190644E+00
 
 0.15192830E+04 0.35872461E+03 0.11331008E+03 0.40737581E+02
 0.78684813E-02 0.60486618E-01 0.24410706E+00 0.50586028E+00  cont
 0.15069746E+02
 0.35897367E+00
 
 0.81294894E+01 0.32274327E+01 0.12950982E+01
 0.32820518E+00 0.54386747E+00 0.23880119E+00
 
 0.61261977E+00 0.22722674E+00 
 0.30877928E+00 0.54470871E+00 
 
 0.80624771E-01
  
 0.55372108E+02 0.15372963E+02 0.49092288E+01 0.14602416E+01
 0.61436154E-01 0.28821940E+00 0.52597966E+00 0.40904994E+00
  
 0.32100000E+00
  
:                          BROMIUM
BR  DZVP
  s: 5  p: 4  d: 2
    
 0.11535410E+06 0.17308390E+05 0.39328534E+04 0.11077723E+04
 0.16893782E-02 0.12921849E-01 0.64556610E-01 0.22287210E+00  cont
 0.35963336E+03 0.12369988E+03
 0.46683365E+00 0.37268697E+00
    
 0.23912180E+03 0.28268127E+02 0.11750566E+02
 0.10936399E+00 -0.62943771E+00 -0.44498708E+00
    
 0.21829964E+02 0.36088257E+01 0.15164865E+01
 0.23187339E+00 -0.72724571E+00 -0.40558656E+00
    
 0.25209367E+01 0.40934146E+00
 0.22026256E+00 -0.71631213E+00
    
 0.15309526E+00
 
 0.15803739E+04 0.37309755E+03 0.11835233E+03 0.42858955E+02
 0.81757209E-02 0.62552505E-01 0.24847446E+00 0.50541372E+00  cont
 0.15977874E+02
 0.35234428E+00
 
 0.87533275E+01 0.35160335E+01 0.14307378E+01
 0.32835036E+00 0.54379910E+00 0.23578590E+00
 
 0.70915076E+00 0.26568349E+00
 -0.32441623E+00 -0.53954163E+00
 
 0.94399501E-01
  
 0.61514414E+02 0.17161983E+02 0.55384706E+01 0.16848166E+01
 0.59577684E-01 0.28437807E+00 0.52818558E+00 0.40477237E+00
  
 0.36200000E+00

:                          KRYPTON
KR  DZVP
  s: 5  p: 4  d: 2
    
 0.12109587E+06 0.18179499E+05 0.41350244E+04 0.11665606E+04
 -0.17062131E-02 -0.13037190E-01 -0.64991492E-01 -0.22366779E+00  cont
 0.37952584E+03 0.13087605E+03
 -0.46658390E+00 -0.37150060E+00
    
 0.25348193E+03 0.30046232E+02 0.12525789E+02
 0.10972648E+00 -0.63018005E+00 -0.44424484E+00
    
 0.23269098E+02 0.38678875E+01 0.16436802E+01
 -0.23436072E+00 0.73518935E+00 0.39837979E+00
    
 0.27904565E+01 0.46764855E+00 
 0.23057668E+00 -0.72494652E+00
    
 0.17508989E+00
 
 0.16598844E+04 0.39252006E+03 0.12489496E+03 0.45428589E+02
 -0.83194825E-02 -0.63394056E-01 -0.25001951E+00 -0.50492661E+00  cont
 0.17016209E+02
 -0.34979567E+00
 
 0.93987393E+01 0.38150619E+01 0.15717667E+01
 -0.32901416E+00 -0.54381782E+00 -0.23245679E+00
 
 0.81017450E+00 0.30647467E+00 
 0.33733383E+00 0.53529313E+00 
 
 0.10935396E+00
  
 0.67819399E+02 0.19003541E+02 0.61890315E+01 0.19192995E+01
 0.58071899E-01 0.28127746E+00 0.53010521E+00 0.40085328E+00
  
 0.40200000E+00
  
:                        ORBITAL BASIS SETS
:                   
:                         FIFTH ROW ATOMS
:
:                              RUBIDIUM
RB  DZVP
  s: 6  p: 5  d: 2
    
 0.13151506E+06 0.19719217E+05 0.44743040E+04 0.12577508E+04
 -0.16499295E-02 -0.12637189E-01 -0.63384239E-01 -0.22010846E+00  cont
 0.13981533E+03 0.40751700E+03
 -0.37747997E+00 -0.46593215E+00
    
 0.26784558E+03 0.32002599E+02 0.13411946E+02
 0.11022853E+00 -0.62605580E+00 -0.44841621E+00
    
 0.24685461E+02 0.41766912E+01 0.18093356E+01
 -0.23786791E+00 0.73124139E+00 0.40378989E+00
    
 0.30379536E+01 0.54666656E+00 0.22100436E+00
 0.24708081E+00 -0.72794531E+00 -0.41950152E+00
    
 0.30079901E+00 0.37747925E-01
 -0.14763915E+00 0.76435708E+00
    
 0.15984002E-01
 
 0.18138928E+04 0.42815812E+03 0.13584109E+03 0.49252882E+02
 0.79110380E-02 0.60908133E-01 0.24442326E+00 0.50442214E+00  cont
 0.18408753E+02
 0.35775045E+00
 
 0.10102383E+02 0.41521422E+01 0.17413779E+01
 0.32762152E+00 0.54185074E+00 0.23299814E+00
 
 0.94123369E+00 0.37909037E+00
 -0.34597006E+00 -0.54081540E+00
 
 0.14350018E+00
 
 0.03580000E+00
  
 0.13085515E+03 0.37952944E+02 0.13467338E+02 0.49424752E+01
 0.20273721E-01 0.12666242E+00 0.35776857E+00 0.49204493E+00  cont
 0.17083314E+01
 0.27985076E+00

 0.06000000E+00

:                             STRONTIUM
SR  DZVP
  s: 6  p: 5  d: 3
    
 0.13960084E+06 0.20926659E+05 0.47462276E+04 0.13333111E+04
 -0.16378316E-02 -0.12549879E-01 -0.63023773E-01 -0.21929393E+00  cont
 0.43168069E+03 0.14800238E+03
 -0.46579144E+00 -0.37876578E+00
    
 0.28306519E+03 0.33893445E+02 0.14249833E+02
 -0.11056330E+00 0.62673295E+00 0.44769675E+00
    
 0.26238979E+02 0.44540778E+01 0.19483734E+01
 -0.24018346E+00 0.74071444E+00 0.39499938E+00
    
 0.33118117E+01 0.62127798E+00 0.26072109E+00
 -0.26237863E+00 0.75298030E+00 0.40203210E+00
    
 0.39263117E+00 0.56524213E-01
 -0.17315449E+00 0.74828075E+00
    
 0.23739568E-01
 
 0.19276125E+04 0.45511466E+03 0.14447812E+03 0.52462802E+02
 0.78538837E-02 0.60561912E-01 0.24348583E+00 0.50396506E+00  cont
 0.19651785E+02
 0.35888527E+00
 
 0.10775800E+02 0.44620421E+01 0.18943082E+01
 -0.33047704E+00 -0.54191466E+00 -0.22773868E+00
 
 0.10524225E+01 0.44024904E+00
 0.37238697E+00 0.53487950E+00
 
 0.17565030E+00
 
 0.04630000E+00
  
 0.14312708E+03 0.41621804E+02 0.14836735E+02 0.54956655E+01
 0.19651201E-01 0.12414182E+00 0.35542701E+00 0.49384185E+00  cont
 0.19302776E+01
 0.27742543E+00

 0.9140950678895 0.3459378567554 0.1224188318143
 -0.2160249 -0.27058493 -0.51606138

 0.07800000E+00
:                               YTTRIUM
Y   DZVP
  s: 6  p: 5  d: 3
    
 0.14719699E+06 0.22066574E+05 0.50053894E+04 0.14063860E+04
 0.16363662E-02 0.12537170E-01 0.62955151E-01 0.21906558E+00  cont
 0.45553662E+03 0.15628319E+03
 0.46550185E+00 0.37925046E+00
    
 0.29895115E+03 0.35781585E+02 0.15071000E+02
 0.11080655E+00 -0.62937996E+00 -0.44499432E+00
    
 0.27841738E+02 0.47324406E+01 0.20840820E+01
 0.24233883E+00 -0.75309832E+00 -0.38329469E+00
    
 0.36285134E+01 0.69598988E+00 0.29185788E+00
 0.27254801E+00 -0.76602649E+00 -0.39521020E+00
    
 0.42479369E+00 0.64325399E-01 
 0.18473829E+00 -0.76524647E+00
    
 0.25969031E-01
 
 0.20455614E+04 0.48306531E+03 0.15345325E+03 0.55792035E+02
 -0.77963416E-02 -0.60199732E-01 -0.24248552E+00 -0.50361483E+00  cont
 0.20934875E+02
 -0.36004743E+00
 
 0.11447531E+02 0.47602696E+01 0.20395849E+01
 -0.33522336E+00 -0.54332779E+00 -0.21950767E+00
 
 0.11815298E+01 0.49856174E+00 
 -0.38298970E+00 -0.52926416E+00
 
 0.20057946E+00
 
 0.05350000E+00
  
 0.16347263E+03 0.47645344E+02 0.17065635E+02 0.63988715E+01
 0.17478492E-01 0.11390841E+00 0.34044507E+00 0.49576763E+00  cont
 0.23007206E+01
 0.29384986E+00
  
 0.15022957E+01 0.45494000E+00 0.12656146E+00
 0.19480335E+00 0.47826094E+00 0.57108445E+00
  
 0.28500000E-01
:                             ZIRCONIUM
ZR  DZVP
  s: 6  p: 5  d: 3
    
 0.15475961E+06 0.23203448E+05 0.52648042E+04 0.14799713E+04
 0.16380190E-02 0.12546190E-01 0.62972051E-01 0.21899162E+00  cont
 0.47971858E+03 0.16471597E+03
 0.46524233E+00 0.37945770E+00
    
 0.31493173E+03 0.37805987E+02 0.15970234E+02
 0.11113466E+00 -0.62929348E+00 -0.44508230E+00
    
 0.29462766E+02 0.50379026E+01 0.22358209E+01
 0.24483394E+00 -0.76072426E+00 -0.37673394E+00
    
 0.39415221E+01 0.77735416E+00 0.32766994E+00
 -0.28196391E+00 0.77376575E+00 0.39367403E+00
    
 0.47665334E+00 0.74204673E-01 
 -0.18520305E+00 0.74448719E+00 
    
 0.29367694E-01
 
 0.21777945E+04 0.51419091E+03 0.16331121E+03 0.59394590E+02
 -0.76791480E-02 -0.59478273E-01 -0.24073036E+00 -0.50320792E+00  cont
 0.22307656E+02
 -0.36239511E+00
 
 0.12174666E+02 0.50974209E+01 0.22052320E+01
 -0.33741394E+00 -0.54336429E+00 -0.21533073E+00
 
 0.13125044E+01 0.55904420E+00 
 -0.39460158E+00 -0.52429790E+00
 
 0.22701453E+00
 
 0.05960000E+00
  
 0.17991428E+03 0.52518687E+02 0.18870254E+02 0.71277747E+01
 0.16559176E-01 0.10970423E+00 0.33469946E+00 0.49743769E+00  cont
 0.25954845E+01
 0.29760565E+00
  
 0.17662955E+01 0.55271310E+00 0.15940008E+00
 -0.20674698E+00 -0.49562323E+00 -0.53520374E+00
  
 0.35200000E-01

:                             NOBIUM
NB  DZVP
  s: 6  p: 5  d: 3
    
 0.16151844E+06 0.24228125E+05 0.55021840E+04 0.15488033E+04
 0.16519197E-02 0.12641305E-01 0.63331317E-01 0.21964904E+00  cont
 0.50295061E+03 0.17306900E+03
 0.46501907E+00 0.37849351E+00
    
 0.33147133E+03 0.39850414E+02 0.16871947E+02
 -0.11140846E+00 0.63032241E+00 0.44403671E+00
    
 0.31140051E+02 0.53478117E+01 0.23861171E+01
 0.24713791E+00 -0.76999478E+00 -0.36848208E+00
    
 0.42712924E+01 0.86010710E+00 0.36298836E+00
 -0.28955121E+00 0.78093936E+00 0.39166097E+00
    
 0.53373305E+00 0.82848505E-01 
 0.18680772E+00 -0.72514562E+00
    
 0.32213452E-01
 
 0.22995578E+04 0.54312805E+03 0.17264752E+03 0.62880700E+02
 -0.76497637E-02 -0.59284589E-01 -0.24012407E+00 -0.50286278E+00  cont
 0.23662907E+02
 -0.36303494E+00
 
 0.12917423E+02 0.54425230E+01 0.23745651E+01
 -0.33996314E+00 -0.54340973E+00 -0.21094618E+00
 
 0.14516914E+01 0.62284850E+00 
 -0.40216289E+00 -0.52021126E+00
 
 0.25425670E+00
 
 0.06490000E+00
  
 0.19469324E+03 0.56948750E+02 0.20540995E+02 0.78193562E+01
 0.16119062E-01 0.10768994E+00 0.33177669E+00 0.49793791E+00  cont
 0.28843399E+01
 0.29792097E+00
  
 0.20330360E+01 0.65209329E+00 0.19238667E+00
 -0.21538579E+00 -0.50627150E+00 -0.51085218E+00
  
 0.41700000E-01
  
:                          MOLYBDENIUM
MO  DZVP
  s: 6  p: 5  d: 3
    
 0.17034394E+06 0.25548859E+05 0.58004887E+04 0.16320785E+04
 -0.16423389E-02 -0.12571028E-01 -0.63036058E-01 -0.21893678E+00  cont
 0.52978964E+03 0.18222550E+03
 -0.46475199E+00 -0.37972611E+00
    
 0.34833319E+03 0.41978603E+02 0.17818517E+02
 0.11170181E+00 -0.63043445E+00 -0.44392426E+00
    
 0.32858543E+02 0.56718438E+01 0.25429626E+01
 -0.24945020E+00 0.77815758E+00 0.36142869E+00
    
 0.46121484E+01 0.94651162E+00 0.39941416E+00
 0.29592072E+00 -0.78503062E+00 -0.39216298E+00
    
 0.58733550E+00 0.90938428E-01 
 -0.18498946E+00 0.70542662E+00
    
 0.34753133E-01
 
 0.24280420E+04 0.57359779E+03 0.18242914E+03 0.66517647E+02
 0.76040862E-02 0.58997581E-01 0.23933602E+00 0.50252543E+00  cont
 0.25071874E+02
 0.36396966E+00
 
 0.13679030E+02 0.57958646E+01 0.25476963E+01
 -0.34271097E+00 -0.54347498E+00 -0.20650347E+00
 
 0.15962689E+01 0.68782000E+00
 0.40849061E+00 0.51685536E+00
 
 0.28147023E+00
 
 0.06970000E+00
  
 0.21104075E+03 0.61822591E+02 0.22365748E+02 0.85687267E+01
 -0.15570897E-01 -0.10513944E+00 -0.32805757E+00 -0.49873004E+00  cont
 0.31940065E+01
 -0.29980074E+00
  
 0.23040401E+01 0.75354227E+00 0.22590200E+00
 -0.22243021E+00 -0.51335614E+00 -0.49278117E+00
  
 0.48200000E-01

:                          TECHNICIUM
TC  DZVP
  s: 6  p: 5  d: 3
    
 0.17968619E+06 0.26943263E+05 0.61143029E+04 0.17192835E+04
 -0.16302119E-02 -0.12483896E-01 -0.62676591E-01 -0.21809349E+00  cont
 0.55774914E+03 0.19170466E+03
 -0.46449362E+00 -0.38115959E+00
    
 0.36560662E+03 0.44182321E+02 0.18802503E+02
 0.11199611E+00 -0.63013750E+00 -0.44423138E+00
    
 0.34621941E+02 0.60080799E+01 0.27051262E+01
 -0.25167211E+00 0.78536699E+00 0.35534386E+00
    
 0.49630143E+01 0.10356513E+01 0.43715541E+00
 0.30124059E+00 -0.78669859E+00 -0.39442380E+00
    
 0.64301250E+00 0.98006613E-01
 -0.17817231E+00 0.67576943E+00
    
 0.37216411E-01
 
 0.25610052E+04 0.60485698E+03 0.19281618E+03 0.69518240E+02
 0.75974230E-02 0.58218998E-01 0.24019944E+00 0.50846894E+00  cont
 0.26210575E+02
 0.35773998E+00
 
 0.10708955E+03 0.12237613E+02 0.44912118E+01
 -0.23793241E-01 0.49521798E+00 0.58125427E+00
 
 0.18484030E+01 0.77112824E+00
 -0.38179622E+00 -0.54360581E+00
 
 0.31068709E+00
 
 0.07650000E+00
  
 0.22883732E+03 0.67165766E+02 0.24376220E+02 0.93936148E+01
 -0.14965694E-01 -0.10206897E+00 -0.32311627E+00 -0.49936459E+00  cont
 0.35347228E+01
 -0.30381080E+00
  
 0.26524986E+01 0.89490988E+00 0.27688701E+00
 -0.22115623E+00 -0.51069898E+00 -0.48757962E+00
  
 0.64600000E-01
  
:                          RUTHENIUM
RU  DZVP
  s: 6  p: 5  d: 3
    
 88363.70      28246.154      6410.4558      1802.7696
 -0.16283121E-02 -0.12467994E-01 -0.62598796E-01 -0.21784815  cont
 584.99810     201.14280    
 -0.46426623     -0.38163519    
    
 383.36292     46.409099      19.792436    
 -0.11225130    0.63063007     0.44373509    
    
 36.437176     6.3516227      2.8675119    
 -0.25381605    0.79359270     0.34823814    
    
 5.3311415     1.1272716      0.47577665    
 0.30560417     -0.78808340     -0.39627284    
    
 0.70971613    0.10185847
 0.17436609     -0.66660107   
    
 0.38362722E-01
 
 2680.7499     633.20760      201.99995      72.965137
 -0.76318755E-02 -0.58487613E-01 -0.24094528     -0.50838156 cont
 27.591142    
 -0.35640229    
 
 112.37554     12.970494      4.8000426    
 0.23953753E-01 -0.49591818     -0.57958460    
 
 2.0022824     0.83448037    
0.39094786     0.53994331    
 
 0.33682386    

 0.08200000E+00
  
 244.46943     71.827581      26.135455      10.132053
 -0.14756433E-01 -0.10124693     -0.32211649     -0.49925979  cont
 3.8536072    
 -0.30267707    
  
 2.9850999     1.0287513      0.32463848    
 0.22214274    0.50996123     0.48174614   
  
 0.78700000E-01

:                          RHODIUM
RH  DZVP
  s: 6  p: 5  d: 3
    
 0.19439954E+06 0.29173202E+05 0.66309115E+04 0.18691158E+04
 -0.16557218E-02 -0.12659200E-01 -0.63341595E-01 -0.21933288E+00  cont
 0.60835128E+03 0.20992021E+03
 -0.46413470E+00 -0.37931386E+00
    
 0.40164960E+03 0.48657116E+02 0.20783860E+02
 -0.11246413E+00 0.63202216E+00 0.44233073E+00
    
 0.38301872E+02 0.67034662E+01 0.30313647E+01
 -0.25584840E+00 0.80201830E+00 0.34090332E+00
    
 0.57142594E+01 0.12196848E+01 0.51315445E+00
 0.30907202E+00 -0.79137801E+00 -0.39568215E+00
    
 0.77922844E+00 0.10527617E+00 
 0.17310665E+00 -0.65524292E+00
    
 0.39417398E-01
 
 0.28075195E+04 0.66357601E+03 0.21194292E+03 0.76677617E+02
 -0.76444674E-02 -0.58528396E-01 -0.24092563E+00 -0.50812328E+00  cont
 0.29060298E+02
 -0.35620857E+00
 
 0.11786437E+03 0.13719225E+02 0.51161393E+01
 0.24124072E-01 -0.49692909E+00 -0.57769921E+00
 
 0.21636268E+01 0.90177592E+00 
 0.39793947E+00 0.53619141E+00 
 
 0.36471451E+00
 
 0.08820000E+00
  
 0.26335664E+03 0.77388640E+02 0.28197650E+02 0.10976687E+02
 -0.14268626E-01 -0.99021794E-01 -0.31900268E+00 -0.49992669E+00  cont
 0.42068087E+01
 -0.30469894E+00
  
 0.33322714E+01 0.11672176E+01 0.37332668E+00
 0.22214711E+00 0.50960831E+00 0.47790615E+00
  
 0.92400000E-01
  
:                         PALLADIUM
PD  DZVP
  s: 6  p: 5  d: 3
    
 0.20719310E+06 0.31063772E+05 0.70477495E+04 0.19812001E+04
 0.16165886E-02 0.12382157E-01 0.62232299E-01 0.21692187E+00  cont
 0.64275338E+03 0.22095334E+03
 0.46381874E+00 0.38327711E+00
    
 0.42008860E+03 0.51043839E+02 0.21860117E+02
 0.11274461E+00 -0.63118577E+00 -0.44318191E+00
    
 0.40201336E+02 0.70760011E+01 0.32086931E+01
 0.25796900E+00 -0.80795258E+00 -0.33617302E+00
    
 0.61041967E+01 0.13179249E+01 0.55345369E+00
 -0.31233861E+00 0.79114633E+00 0.39862190E+00
    
 0.82336027E+00 0.10882257E+00
 -0.16230367E+00 0.64480495E+00
    
 0.40126754E-01
 
 0.29724214E+04 0.70211490E+03 0.22406464E+03 0.81023678E+02
 -0.75090771E-02 -0.57701132E-01 -0.23901532E+00 -0.50764660E+00  cont
 0.30725305E+02
 -0.35898041E+00
 
 0.12325971E+03 0.14511928E+02 0.54488286E+01
 0.24235835E-01 -0.49683313E+00 -0.57700637E+00
 
 0.23322949E+01 0.97112588E+00
 0.40367943E+00 0.53336479E+00
 
 0.39282893E+00
 
 0.09040000E+00
  
 0.28267187E+03 0.83165098E+02 0.30358538E+02 0.11862748E+02
 0.13830882E-01 0.96832668E-01 0.31556612E+00 0.50070916E+00  cont
 0.45710013E+01
 0.30724514E+00
  
 0.35936515E+01 0.12599726E+01 0.40041961E+00
 0.23146027E+00 0.51503040E+00 0.46550960E+00
  
 0.95200000E-01
  
:                         SILVER   
AG  DZVP
  s: 6  p: 5  d: 3
    
 0.21508606E+06 0.32258588E+05 0.73243644E+04 0.20613101E+04
 -0.16281996E-02 -0.12462075E-01 -0.62533921E-01 -0.21748463E+00  cont
 0.66974756E+03 0.23064332E+03
 -0.46366479E+00 -0.38243116E+00
    
 0.43915415E+03 0.53421939E+02 0.22916851E+02
 0.11295708E+00 -0.63200984E+00 -0.44235419E+00
    
 0.42156406E+02 0.74525892E+01 0.33834738E+01
 -0.25990666E+00 0.81502609E+00 0.33020848E+00
    
 0.65120304E+01 0.14164639E+01 0.59312075E+00
 0.31484731E+00 -0.79277253E+00 -0.39906820E+00
    
 0.89276310E+00 0.11075096E+00
 -0.16100013E+00 0.64155707E+00
    
 0.40647545E-01
 
 0.31104582E+04 0.73504937E+03 0.23478029E+03 0.85002225E+02
 0.75053882E-02 0.57651148E-01 0.23881603E+00 0.50739842E+00  cont 
 0.32294787E+02
 0.35908473E+00
 
 0.12899157E+03 0.15303213E+02 0.57835900E+01
 -0.24395505E-01 0.49789266E+00 0.57521855E+00
 
 0.25052560E+01 0.10423256E+01 
 -0.40911226E+00 -0.53032566E+00
 
 0.42178771E+00
 
 0.09860000E+00
  
 0.31027356E+03 0.91144338E+02 0.33219617E+02 0.12983148E+02
 -0.12808040E-01 -0.91781711E-01 -0.30792961E+00 -0.50269522E+00  cont
 0.50137566E+01
 -0.31585623E+00
  
 0.39789803E+01 0.14220407E+01 0.46260392E+00
 0.22894085E+00 0.51065955E+00 0.46606274E+00
  
 0.11620000E+00
  
:                         CADMIUM  
CD  DZVP
  s: 6  p: 5  d: 3
    
 0.22537946E+06 0.33798158E+05 0.76716419E+04 0.21581271E+04
 0.16193716E-02 0.12397648E-01 0.62265611E-01 0.21683283E+00  cont
 0.70093157E+03 0.24126502E+03
 0.46341487E+00 0.38357135E+00
    
 0.45853463E+03 0.55894077E+02 0.24031442E+02
 0.11319402E+00 -0.63183819E+00 -0.44252072E+00
    
 0.44149814E+02 0.78498518E+01 0.35739404E+01
 0.26190175E+00 -0.81975649E+00 -0.32664514E+00
    
 0.69148481E+01 0.15269953E+01 0.64915301E+00
 -0.31930359E+00 0.79084491E+00 0.40368593E+00
    
 0.97963685E+00 0.13500069E+00
 -0.16898894E+00 0.63925614E+00
    
 0.49219300E-01
 
 0.32865491E+04 0.77672654E+03 0.24806988E+03 0.89772143E+02
 -0.73707152E-02 -0.56725829E-01 -0.23638252E+00 -0.50667756E+00  cont
 0.34112902E+02
 -0.36269489E+00
 
 0.13466571E+03 0.16142855E+02 0.61401879E+01
 0.24516794E-01 -0.49764827E+00 -0.57472799E+00
 
 0.26903112E+01 0.11263601E+01 
 0.41315046E+00 0.52994285E+00
 
 0.46189701E+00
 
 0.11240000E+00
  
 0.32387850E+03 0.95514820E+02 0.35013354E+02 0.13787057E+02
 0.13033327E-01 0.92614709E-01 0.30850421E+00 0.50113720E+00  cont
 0.53857296E+01
 0.31328796E+00
  
 0.44592175E+01 0.16378356E+01 0.55511581E+00
 0.22298322E+00 0.51181750E+00 0.45882055E+00
  
 0.14780000E+00
  
:                         INDIUM  
IN  DZVP
  s: 6  p: 5  d: 3
    
 0.23586112E+06 0.35365283E+05 0.80252589E+04 0.22567679E+04
 -0.16114341E-02 -0.12339861E-01 -0.62023799E-01 -0.21624065E+00  cont
 0.73273538E+03 0.25211518E+03
 -0.46316737E+00 -0.38461924E+00
    
 0.47837678E+03 0.58408652E+02 0.25166072E+02
 -0.11341491E+00 0.63198634E+00 0.44235818E+00
    
 0.46206297E+02 0.82521932E+01 0.37616341E+01
 -0.26374624E+00 0.82570026E+00 0.32178739E+00
    
 0.73377253E+01 0.16380034E+01 0.70771277E+00
 0.32327030E+00 -0.79130409E+00 -0.40529346E+00
    
 0.10796188E+01 0.16346497E+00
 0.19167566E+00 -0.67696904E+00
    
 0.60867632E-01
 
 0.34336412E+04 0.81131519E+03 0.25914879E+03 0.93891843E+02
 -0.73652703E-02 -0.56745591E-01 -0.23656627E+00 -0.50642422E+00  cont
 0.35771107E+02
 -0.36234335E+00
 
 0.14041031E+03 0.17022779E+02 0.65292809E+01
 0.24672186E-01 -0.49653232E+00 -0.57485979E+00
 
 0.28859793E+01 0.12195438E+01 0.51521361E+00
 0.41512220E+00 0.52798923E+00 0.14713516E+00
 
 0.27325223E+00 0.98972449E-01
 -0.23920496E+00 -0.56371240E+00
 
 0.35133035E-01
  
 0.33748528E+03 0.99570661E+02 0.36596625E+02 0.14499205E+02
 0.13270067E-01 0.94248252E-01 0.31097023E+00 0.50042932E+00  cont
 0.56939458E+01
 0.30847175E+00
  
 0.43763223E+01 0.15233570E+01 0.47834557E+00
 0.27130868E+00 0.55544819E+00 0.38588028E+00
  
 0.12700000E+00

:                        TIN  
SN  DZVP
  s: 6  p: 5  d: 3
    
 0.24504736E+06 0.36750026E+05 0.83427735E+04 0.23474723E+04
 -0.16161520E-02 -0.12371133E-01 -0.62133946E-01 -0.21639771E+00  cont
 0.76283620E+03 0.26273793E+03
 -0.46297487E+00 -0.38444775E+00
    
 0.49873283E+03 0.60950458E+02 0.26305610E+02
 -0.11360522E+00 0.63271820E+00 0.44160859E+00
    
 0.48303913E+02 0.86671437E+01 0.39564692E+01
 -0.26553586E+00 0.83088965E+00 0.31767240E+00
    
 0.77681446E+01 0.17526836E+01 0.77029610E+00
 -0.32757650E+00 0.79394684E+00 0.40493409E+00
    
 0.12005155E+01 0.19470258E+00
 -0.21484201E+00 0.70261138E+00
    
 0.74274051E-01
 
 0.35816969E+04 0.84674434E+03 0.27073208E+03 0.98218372E+02
 -0.73658748E-02 -0.56709659E-01 -0.23633754E+00 -0.50602835E+00  cont
 0.37496067E+02
 -0.36260458E+00
 
 0.14634338E+03 0.17909963E+02 0.69164132E+01
 0.24818362E-01 -0.49619259E+00 -0.57442559E+00
 
 0.30806013E+01 0.13119684E+01 0.55868589E+00
 0.41930376E+00 0.52890387E+00 0.13917010E+00
 
 0.30090372E+00 0.11542733E+00
 -0.29992497E+00 -0.56151552E+00
 
 0.43403292E-01
  
 0.35424033E+03 0.10471075E+03 0.38606721E+02 0.15371790E+02
 -0.13298163E-01 -0.94327029E-01 -0.31107815E+00 -0.49958393E+00  cont
 0.60921833E+01
 -0.30691381E+00
  
 0.48471988E+01 0.17287563E+01 0.56542826E+00
 -0.26645583E+00 -0.55816141E+00 -0.37615915E+00
  
 0.15400000E+00
  
:                       ANTYMONIUM
SB  DZVP
  s: 6  p: 5  d: 3
    
 0.25607333E+06 0.38397817E+05 0.87143415E+04 0.24510514E+04
 0.16078336E-02 0.12310819E-01 0.61882168E-01 0.21578086E+00  cont
 0.79619247E+03 0.27409077E+03
 0.46274029E+00 0.38552503E+00
    
 0.51932174E+03 0.63601065E+02 0.27510965E+02
 -0.11382726E+00 0.63233446E+00 0.44198745E+00
    
 0.50444974E+02 0.90971555E+01 0.41604915E+01
 -0.26733141E+00 0.83517076E+00 0.31448692E+00
    
 0.82092774E+01 0.18705087E+01 0.83479067E+00
 0.33195847E+00 -0.79852197E+00 -0.40279372E+00
    
 0.13261741E+01 0.22737369E+00
 -0.23424287E+00 0.72142251E+00
    
 0.87776904E-01
 
 0.37620537E+04 0.88908808E+03 0.28415403E+03 0.10307294E+03
 0.72734840E-02 0.56126107E-01 0.23492954E+00 0.50553880E+00  cont
 0.39384222E+02
 0.36468550E+00
 
 0.15231598E+03 0.18830571E+02 0.73182696E+01
 0.24955547E-01 -0.49546160E+00 -0.57443569E+00
 
 0.32844080E+01 0.14113934E+01 0.60814563E+00
 -0.42284120E+00 -0.52859778E+00 -0.13314468E+00
 
 0.34968178E+00 0.13927798E+00 
 -0.32125217E+00 -0.55340509E+00
 
 0.54026207E-01
  
 0.38157661E+03 0.11270694E+03 0.41531027E+02 0.16546109E+02
 0.12640062E-01 0.91012463E-01 0.30606042E+00 0.50078233E+00  cont
 0.65775021E+01
 0.31232278E+00
  
 0.53229522E+01 0.19379668E+01 0.65518290E+00
 0.26280884E+00 0.56021199E+00 0.36820195E+00
  
 0.18200000E+00
  
:                       TELLIUM
TE  DZVP
  s: 6  p: 5  d: 3
    
 0.26546704E+06 0.39815857E+05 0.90402222E+04 0.25444469E+04
 -0.16137177E-02 -0.12350162E-01 -0.62025440E-01 -0.21600781E+00  cont
 0.82731644E+03 0.28511675E+03
 -0.46256155E+00 -0.38523611E+00
    
 0.54045125E+03 0.66270548E+02 0.28716378E+02
 0.11401635E+00 -0.63271324E+00 -0.44159603E+00
    
 0.52637588E+02 0.95365952E+01 0.43672865E+01
 0.26903762E+00 -0.83962249E+00 -0.31108855E+00
    
 0.86619854E+01 0.19915548E+01 0.90078497E+00
 -0.33633936E+00 0.80481053E+00 0.39905754E+00
    
 0.14550912E+01 0.26021484E+00
 0.24955121E+00 -0.73869601E+00
    
 0.10190784E+00
 
 0.39502179E+04 0.93393266E+03 0.29849500E+03 0.10824180E+03
 -0.71736750E-02 -0.55409816E-01 -0.23303183E+00 -0.50490130E+00  cont
 0.41377763E+02
 -0.36751165E+00
 
 0.15846596E+03 0.19771745E+02 0.77301177E+01
 -0.25098897E-01 0.49491002E+00 0.57431775E+00
 
 0.34938156E+01 0.15152995E+01 0.65961697E+00
 0.42660048E+00 0.52769614E+00 0.12771852E+00
 
 0.40644182E+00 0.16253451E+00
 0.33878266E+00 0.54186238E+00
 
 0.62245629E-01
  
 0.40516882E+03 0.11978244E+03 0.44181331E+02 0.17636098E+02
 -0.12319726E-01 -0.89284670E-01 -0.30344282E+00 -0.50124302E+00  cont
 0.70441616E+01
 -0.31446612E+00
  
 0.58214668E+01 0.21579560E+01 0.74877360E+00
 -0.25862910E+00 -0.56221190E+00 -0.36252214E+00
  
 0.21200000E+00
  
:                       IODINE
I   DZVP
  s: 6  p: 5  d: 3
    
 0.27484546E+06 0.41233188E+05 0.93667333E+04 0.26384081E+04
 -0.16207424E-02 -0.12397578E-01 -0.62200728E-01 -0.21629376E+00  cont
 0.85877440E+03 0.29630252E+03
 -0.46239490E+00 -0.38484167E+00
    
 0.56183722E+03 0.69040146E+02 0.29980635E+02
 0.11422843E+00 -0.63229093E+00 -0.44201788E+00
    
 0.54869684E+02 0.99954585E+01 0.45888678E+01
 -0.27079861E+00 0.84264721E+00 0.30916571E+00
    
 0.91208256E+01 0.21196787E+01 0.97089255E+00
 -0.34102235E+00 0.81006498E+00 0.39675369E+00
    
 0.15879965E+01 0.29533559E+00
 0.26297110E+00 -0.75104120E+00
    
 0.11640157E+00
 
 0.40894554E+04 0.96703359E+03 0.30944213E+03 0.11245886E+03
 -0.72365512E-02 -0.55839035E-01 -0.23402424E+00 -0.50470181E+00  cont
 0.43118590E+02
 -0.36596334E+00
 
 0.16464620E+03 0.20736583E+02 0.81558304E+01
 -0.25233036E-01 0.49441915E+00 0.57414619E+00
 
 0.37104872E+01 0.16249990E+01 0.71462156E+00
 0.42999553E+00 0.52623712E+00 0.12340625E+00
 
 0.46281925E+00 0.18643116E+00 
 0.35372508E+00 0.53558305E+00 
 
 0.71483483E-01
  
 0.41750324E+03 0.12361483E+03 0.45779039E+02 0.18391663E+02
 -0.12725152E-01 -0.91521176E-01 -0.30709885E+00 -0.49963975E+00  cont
 0.74217932E+01
 -0.30830664E+00
  
 0.62738586E+01 0.23594146E+01 0.83779660E+00
 -0.25930054E+00 -0.56507649E+00 -0.35236938E+00
  
 0.24400000E+00

:                       XENON
XE  DZVP
  s: 6  p: 5  d: 3
    
 0.28734687E+06 0.43095301E+05 0.97841285E+04 0.27536384E+04
 0.16070787E-02 0.12300120E-01 0.61802475E-01 0.21538809E+00  cont
 0.89543918E+03 0.30862368E+03
 0.46214848E+00 0.38639706E+00
    
 0.58395609E+03 0.71785110E+02 0.31215704E+02
 -0.11438459E+00 0.63322534E+00 0.44105870E+00
    
 0.57171890E+02 0.10450421E+02 0.47963432E+01
 -0.27228310E+00 0.84784922E+00 0.30490358E+00
    
 0.96014044E+01 0.22451447E+01 0.10382427E+01
 -0.34504855E+00 0.81961899E+00 0.38963108E+00
    
 0.17261286E+01 0.33198921E+00
 0.27454001E+00 -0.76094754E+00
    
 0.13115156E+00
 
 0.42595720E+04 0.10074760E+04 0.32255731E+03 0.11730657E+03
 0.72161506E-02 0.55681735E-01 0.23357221E+00 0.50440394E+00  cont
 0.45043849E+02
 0.36652762E+00
 
 0.17116083E+03 0.21710363E+02 0.85862720E+01
 -0.25392287E-01 0.49445314E+00 0.57350994E+00
 
 0.39278209E+01 0.17347255E+01 0.76938129E+00
 -0.43476892E+00 -0.52419631E+00 -0.11848078E+00
 
 0.52176710E+00 0.21238857E+00
 0.36394883E+00 0.53025107E+00
 
 0.81780852E-01
  
 0.44354520E+03 0.13156120E+03 0.19660123E+02 0.48816395E+02
 -0.12327761E-01 -0.89162653E-01 -0.49984015E+00 -0.30254279E+00  cont
 0.79564419E+01
 -0.31340447E+00
  
 0.68245385E+01 0.26049770E+01 0.94221918E+00
 -0.25375492E+00 -0.56607077E+00 -0.35110776E+00
  
 0.27500000E+00
  
:                         AUXILIARY SETS
:
:                         
:             HYDROGEN
H    A1
  s: 4
 0.45000000E+02
 0.75000000E+01
 0.15000000E+01
 0.30000000E+00

  s: 4
 0.15000000E+02
 0.25000000E+01
 0.05000000E+01
 0.10000000E+00

H    A2
  s: 3  p: 0  d: 1
 0.45000000E+02
 0.75000000E+01
 0.30000000E+00

 0.15000000E+01

  s: 3  p: 0  d: 1
 0.15000000E+02
 0.25000000E+01
 0.10000000E+00

 0.05000000E+01

H    A3
  s: 3
 0.15000000E+02
 0.15000000E+01
 0.30000000E+00

  s: 3
 0.50000000E+01
 0.05000000E+01
 0.10000000E+00

H    A4
  s: 4  p: 0  d: 1
 0.45000000E+02
 0.75000000E+01
 0.30000000E+00
 0.10000000E+00

 0.15000000E+01

  s: 4  p: 0  d: 1
 0.15000000E+02
 0.25000000E+01
 0.10000000E+00
 0.03000000E+00

 0.05000000E+01


:             HELIUM
HE    A1
  s: 4
 0.54000000E+02
 0.90000000E+01
 0.18000000E+01
 0.36000000E+00

  s: 4
 0.18000000E+02
 0.30000000E+01
 0.06000000E+01
 0.12000000E+00

HE    A2
  s: 3  p: 0  d: 1
 0.54000000E+02
 0.90000000E+01
 0.36000000E+00

 0.18000000E+01

  s: 3  p: 0  d: 1
 0.18000000E+02
 0.30000000E+01
 0.12000000E+00

 0.06000000E+01

H    A3
  s: 3
 0.18000000E+02
 0.18000000E+01
 0.36000000E+00

  s: 3
 0.60000000E+01
 0.06000000E+01
 0.12000000E+00

:
:                      SECOND ROW ELEMENTS 
:                        AUXILIARY SETS
:
:                         LITHIUM

: average d,p gives auxiliary d
: small s gives p

LI   A1
    s:  5  p:  1  d:  1
    
 0.25600000E+03
 0.51200000E+02
 0.12800000E+02
 0.32000000E+01
 0.80000000E+00

 0.05000000E+00

 0.20000000E+00
  
  s:  5  p:  1  d:  1

 0.85300000E+02
 0.17100000E+02
 0.43000000E+01
 0.11000000E+01
 0.27000000E+00

 0.02000000E+00

 0.07000000E+00
  
:                               BERYLLIUM
BE   A1
    s:  5  p:  1  d:  1
    
 0.51200000E+03
 0.10300000E+03
 0.25600000E+02
 0.64000000E+01
 0.16000000E+01

 0.11000000E+00

 0.40000000E+00
  
    s:  5  p:  1  d:  1

 0.17100000E+02
 0.34300000E+02
 0.85000000E+01
 0.21000000E+01
 0.53000000E+00

 0.04000000E+00

 0.13000000E+00
  
:                            BORON
  
:  x4  , x5   from (63/5),  skip middle d
: DZP
B   A3
  s:  4   p:  1   d:  2
    
 0.71680000E+03
 0.14340000E+03
 0.35840000E+02
 0.89600000E+01

 0.56000000E+00

 0.28000000E+01
 0.14000000E+00
    
  s:  4   p:  1   d:  2

 0.23890000E+03
 0.47790000E+02
 0.11950000E+02
 0.29900000E+01
  
 0.19000000E+00

 0.93000000E+00
 0.04700000E+00
  
:  x4  , x5   from (63/5)
: TPZ
B   A1
  s:  4   p:  0   d:  3
    
 0.71680000E+03
 0.14340000E+03
 0.35840000E+02
 0.89600000E+01

 0.28000000E+01
 0.56000000E+00
 0.14000000E+00
    
  s:  4   p:  0   d:  3

 0.23890000E+03
 0.47790000E+02
 0.11950000E+02
 0.29900000E+01
  
 0.93000000E+00
 0.19000000E+00
 0.04700000E+00
  
: QZP
:  x3.5 , x4.5 ,   from (73/6)
B   A2 
  s:  4   p:  0   d:  4
    
 0.99200000E+03
 0.22000000E+03
 0.63000000E+02
 0.18000000E+02
  
 0.66200000E+01
 0.14700000E+01
 0.42000000E+00
 0.12000000E+00

  s:  4   p:  0   d:  4
  
 0.33100000E+03
 0.73000000E+02
 0.21000000E+02
 0.60000000E+01

 0.22100000E+01
 0.50000000E+00
 0.14000000E+00
 0.04000000E+00

:                               CARBON
:  DZP
C   A3
  s:  4   p:  1   d:  2
    
 0.11140000E+04
 0.22300000E+03
 0.55720000E+02
 0.13900000E+02
  
 0.87000000E+00

 0.44000000E+01
 0.22000000E+00
  
  s:  4   p:  1   d:  2

 0.37100000E+03
 0.74200000E+02
 0.18600000E+02
 0.46400000E+01
  
 0.29000000E+00

 0.14700000E+01
 0.07300000E+00
  
: TZP 
C   A1
  s:  4   p:  0   d:  3
    
0.11140000E+04
0.22300000E+03
0.55720000E+02
0.13900000E+02

0.44000000E+01
0.87000000E+00
0.22000000E+00

s:  4   p:  0   d:  3

0.37100000E+03
0.74200000E+02
0.18600000E+02
0.46400000E+01

0.14700000E+01
0.29000000E+00
0.07300000E+00
  
: QZP
C   A2
  s:  4   p:  0   d:  4
    
 0.15000000E+04
 0.33000000E+03
 0.94300000E+02
 0.27000000E+02
  
 0.99200000E+01
 0.22000000E+01
 0.63000000E+00
 0.18000000E+00
  
  s:  4   p:  0   d:  4
    
 0.50000000E+03
 0.11000000E+03
 0.31400000E+02
 0.09000000E+02
  
 0.33000000E+01
 0.73000000E+00
 0.21000000E+00
 0.06000000E+00
  
C   A4
  s:  4   p:  0   d:  4
    
0.11140000E+04
0.22300000E+03
0.55720000E+02
0.13900000E+02

0.44000000E+01
0.87000000E+00
0.22000000E+00
0.07300000E+00

s:  4   p:  0   d:  4

0.37100000E+03
0.74200000E+02
0.18600000E+02
0.46400000E+01

0.14700000E+01
0.29000000E+00
0.07300000E+00
0.02400000E+00
:                           NITROGEN
N   A3 
  s:  4   p:  1   d:  2
    
 0.16400000E+04
 0.32800000E+03
 0.82000000E+02
 0.20500000E+02
  
 0.12800000E+01

 0.64000000E+01
 0.32000000E+00

  s:  4   p:  1   d:  2
    
 0.55000000E+03
 0.11000000E+03
 0.27000000E+02
 0.68300000E+01
  
 0.43000000E+00

 0.21000000E+01
 0.11000000E+00
  
: TZP
N   A1 
  s:  4   p:  0   d:  3
    
 0.16400000E+04
 0.32800000E+03
 0.82000000E+02
 0.20500000E+02
  
 0.64000000E+01
 0.12800000E+01
 0.32000000E+00

  s:  4   p:  0   d:  3
    
 0.55000000E+03
 0.11000000E+03
 0.27000000E+02
 0.68300000E+01
  
 0.21000000E+01
 0.43000000E+00
 0.11000000E+00
  
: QZP
N   A2
  s:  4   p:  0   d:  4
    
 0.20660000E+04
 0.45900000E+03
 0.13100000E+03
 0.37500000E+02
  
 0.13800000E+02
 0.30600000E+01
 0.88000000E+00
 0.25000000E+00
  
  s:  4   p:  0   d:  4
    
 0.68800000E+03
 0.15300000E+03
 0.43700000E+02
 0.12500000E+02
  
 0.46000000E+01
 0.10200000E+01
 0.29000000E+00
 0.08300000E+00
  
  
N   A4 
  s:  4   p:  0   d:  4
    
 0.16400000E+04
 0.32800000E+03
 0.82000000E+02
 0.20500000E+02
  
 0.64000000E+01
 0.12800000E+01
 0.32000000E+00
 0.11000000E+00

  s:  4   p:  0   d:  4
    
 0.55000000E+03
 0.11000000E+03
 0.27000000E+02
 0.68300000E+01
  
 0.21000000E+01
 0.43000000E+00
 0.11000000E+00
 0.03700000E+00
:                                  OXYGEN
: DZP
O   A3
  s:  4   p:  1   d:  2
    
 0.20000000E+04
 0.40000000E+03
 0.10000000E+03
 0.25000000E+02
  
 0.15600000E+01

 0.78000000E+01
 0.39000000E+00
  
  s:  4   p:  1   d:  2
    
 0.66670000E+03
 0.13300000E+03
 0.33300000E+02
 0.83000000E+01

 0.52000000E+00

 0.26000000E+01
 0.13000000E+00
  
: TZP
O   A1
  s:  4   p:  0   d:  3
    
 0.20000000E+04
 0.40000000E+03
 0.10000000E+03
 0.25000000E+02
  
 0.78000000E+01
 0.15600000E+01
 0.39000000E+00
  
  s:  4   p:  0   d:  3
    
 0.66700000E+03
 0.13300000E+03
 0.33300000E+02
 0.83000000E+01

 0.26000000E+01
 0.52000000E+00
 0.13000000E+00
  
: QZP
O   A2
  s:  4   p:  0   d:  4
    
 0.25660000E+04
 0.57000000E+03
 0.16300000E+03
 0.46500000E+02

 0.17000000E+02
 0.38000000E+01
 0.10800000E+01
 0.31000000E+00
  
  s:  4   p:  0   d:  4

 0.85500000E+03
 0.19000000E+03
 0.54000000E+02
 0.15500000E+02
  
 0.56600000E+01
 0.12700000E+01
 0.36000000E+00
 0.10000000E+00
  
O   A4
  s:  4   p:  0   d:  4
    
 0.20000000E+04
 0.40000000E+03
 0.10000000E+03
 0.25000000E+02
  
 0.78000000E+01
 0.15600000E+01
 0.39000000E+00
 0.13000000E+00
  
  s:  4   p:  0   d:  4
    
 0.66700000E+03
 0.13300000E+03
 0.33300000E+02
 0.83000000E+01

 0.26000000E+01
 0.52000000E+00
 0.13000000E+00
 0.04300000E+00
  
:                                 FLUORINE
: DZP
F   A3
  s:  4   p:  1   d:  2
    
 0.24580000E+04
 0.49200000E+03
 0.12300000E+03
 0.30700000E+02
  
 0.19200000E+01

 0.96000000E+01
 0.48000000E+00

  s:  4   p:  1   d:  2
    
 0.81900000E+03
 0.16400000E+03
 0.41000000E+02
 0.10200000E+02
  
 0.64000000E+00

 0.32000000E+01
 0.16000000E+00
  
: TZP
F   A1
  s:  4   p:  0   d:  3
    
 0.24580000E+04
 0.49200000E+03
 0.12300000E+03
 0.30700000E+02
  
 0.96000000E+01
 0.19200000E+01
 0.48000000E+00

  s:  4   p:  0   d:  3
    
 0.81900000E+03
 0.16400000E+03
 0.41000000E+02
 0.10200000E+02
  
 0.32000000E+01
 0.64000000E+00
 0.16000000E+00
  
: QZP
F   A2
  s:  4   p:  0   d:  4
    
 0.31000000E+04
 0.69000000E+03
 0.19700000E+03
 0.56300000E+02
  
 0.21000000E+02
 0.46000000E+01
 0.13300000E+01
 0.38000000E+00
  
  s:  4   p:  0   d:  4
    
 0.10350000E+04
 0.23000000E+03
 0.65700000E+02
 0.18800000E+02
  
 0.70000000E+01
 0.15300000E+01
 0.44000000E+00
 0.13000000E+00
  
:                                  NEON
: DZP
NE  A3
  s:  4   p:  1   d:  2
    
 0.30720000E+04
 0.61400000E+03
 0.15360000E+03
 0.38400000E+02
  
 0.24000000E+01

 0.12000000E+02
 0.60000000E+00

  s:  4   p:  1   d:  2
  
 0.10240000E+04
 0.20480000E+03
 0.51200000E+02
 0.12800000E+02
  
 0.80000000E+00

 0.40000000E+01
 0.20000000E+00
  
: TZP
NE  A1
  s:  4   p:  0   d:  3
    
 0.30720000E+04
 0.61400000E+03
 0.15360000E+03
 0.38400000E+02
  
 0.12000000E+02
 0.24000000E+01
 0.60000000E+00

  s:  4   p:  0   d:  3
  
 0.10240000E+04
 0.20480000E+03
 0.51200000E+02
 0.12800000E+02
  
 0.40000000E+01
 0.80000000E+00
 0.20000000E+00
  
: QZP
NE   A2
  s:  4   p:  0   d:  4
    
 0.41500000E+04
 0.92300000E+03
 0.26400000E+03
 0.75000000E+02
  
 0.27500000E+02
 0.61500000E+01
 0.17500000E+01
 0.50000000E+00
  
  s:  4   p:  0   d:  4

 0.13800000E+04
 0.30800000E+03
 0.88000000E+02
 0.25000000E+02
  
 0.92000000E+01
 0.20500000E+01
 0.60000000E+00
 0.17000000E+00
  
:
:                 THIRD ROW ELEMENTS
:                   AUXILIARY SETS
:
:
:                           SODIUM
: TZP
NA   A1
  s:  5   p:  1   d:  3
    
 0.37000000E+04
 0.73700000E+03
 0.18400000E+03
 0.46000000E+02
 0.11500000E+02

 0.04700000E+00
  
 0.36000000E+01
 0.72000000E+00
 0.18000000E+00
  
  s:  5   p:  1   d:  3
    
 0.12300000E+04
 0.24500000E+03
 0.61300000E+02
 0.15000000E+02
 0.38000000E+01

 0.01600000E+00
  
 0.12000000E+01
 0.24000000E+00
 0.06000000E+00
  
:                     MAGNESIUM
: TZP
MG   A1
  s:  5   p:  1   d:  3
    
 0.61400000E+04
 0.12200000E+04
 0.31000000E+03
 0.77000000E+02
 0.19000000E+02

 0.08000000E+00
  
 0.60000000E+01
 0.12000000E+01
 0.30000000E+00
    
  s:  5   p:  1   d:  3

 0.20500000E+04
 0.40700000E+03
 0.10300000E+03
 0.26000000E+02
 0.63300000E+01
 
 0.02700000E+00

 0.20000000E+01
 0.40000000E+00
 0.10000000E+00
  
  
:                   ALUMINIUM
: QZP
AL   A1
  s:  5   p:  0   d:  4
  
 0.68610000E+04
 0.13720000E+04
 0.34300000E+03
 0.85800000E+02
 0.21400000E+02

 0.67200000E+01
 0.13400000E+01
 0.34000000E+00
 0.08400000E+00
  
  s:  5   p:  0   d:  4
    
 0.22870000E+04
 0.45700000E+03
 0.11400000E+03
 0.28600000E+02
 0.71000000E+01
  
 0.22000000E+01
 0.45000000E+00
 0.11000000E+00
 0.02800000E+00
  
:                               SILICON 
: QZP 
SI   A1
  s:  5   p:  0   d:  4
    
 0.98300000E+04
 0.19660000E+04
 0.49200000E+03
 0.12300000E+03
 0.30720000E+02
  
 0.96000000E+01
 0.19200000E+01
 0.48000000E+00
 0.12000000E+00
  
  s:  5   p:  0   d:  4
    
 0.32770000E+04
 0.65500000E+03
 0.16400000E+03
 0.41000000E+02
 0.10200000E+02
  
 0.32000000E+01
 0.64000000E+00
 0.16000000E+00
 0.04000000E+00
  
:                          PHOSPHOROUS
: QZP
P    A1
  s:  5   p:  0   d:  4
    
 0.13107000E+05
 0.26210000E+04
 0.65500000E+03
 0.16400000E+03
 0.41000000E+02
  
 0.13000000E+02
 0.26000000E+01
 0.64000000E+00
 0.16000000E+00
  
  s:  5   p:  0   d:  4
    
 0.43690000E+04
 0.87400000E+03
 0.21800000E+03
 0.55000000E+02
 0.13600000E+02

 0.43000000E+01
 0.85000000E+00
 0.21000000E+00
 0.05300000E+00
  
:                               SULFUR
: QZP 
S    A1
  s:  5   p:  0   d:  4
    
 0.16384000E+05
 0.32770000E+04
 0.81900000E+03
 0.20500000E+03
 0.51000000E+02
  
 0.16000000E+02
 0.32000000E+01
 0.80000000E+00
 0.20000000E+00
  
  s:  5   p:  0   d:  4
    
 0.54610000E+04
 0.10920000E+04
 0.27300000E+03
 0.68300000E+02
 0.17100000E+02
  
 0.53000000E+01
 0.10700000E+01
 0.27000000E+00
 0.06700000E+00
  
:                                 CHLORINE
: QZP
CL   A1
  s:  5   p:  0   d:  4
    
 0.20480000E+05
 0.40960000E+04
 0.10240000E+04
 0.25600000E+03
 0.64000000E+02
  
 0.20000000E+02
 0.40000000E+01
 0.10000000E+01
 0.25000000E+00
  
  s:  5   p:  0   d:  4
    
 0.68270000E+04
 0.13650000E+04
 0.34100000E+03
 0.85000000E+02
 0.21000000E+02
  
 0.67000000E+01
 0.13000000E+01
 0.33000000E+00
 0.08300000E+00
    
:                         ARGON
: QZP
AR   A1
  s:  5   p:  0   d:  4
    
 0.24576000E+05
 0.49150000E+04
 0.12290000E+04
 0.30700000E+03
 0.77000000E+02
  
 0.24000000E+02
 0.48000000E+01
 0.12000000E+01
 0.30000000E+00
  
  s:  5   p:  0   d:  4
    
 0.81920000E+04
 0.16380000E+04
 0.41000000E+03
 0.10200000E+03
 0.26000000E+02
  
 0.80000000E+01
 0.16000000E+01
 0.40000000E+00
 0.10000000E+00
  
:                 FOURTH ROW ELEMENTS
:                   AUXILIARY SETS
:
:                        POTASSIUM
K    A1
  s:  5   p:  1   d:  4
    
 0.10000000E+05
 0.20000000E+04
 0.49000000E+03
 0.12200000E+03
 0.30700000E+02
  
 0.03500000E+00

 0.96000000E+01
 0.19200000E+01
 0.48000000E+00
 0.12000000E+00
  
  s:  5   p:  1   d:  4
    
 0.32800000E+04
 0.65600000E+03
 0.16400000E+03
 0.40900000E+02
 0.10200000E+02
  
 0.01200000E+00

 0.32000000E+01
 0.64000000E+00
 0.16000000E+00
 0.04000000E+00
  
:                        CALCIUM
CA   A1
  s:  5   p:  1   d:  4
    
 0.13900000E+05
 0.28000000E+04
 0.70000000E+03
 0.17400000E+03
 0.43500000E+02
  
 0.05400000E+00
  
 0.13600000E+02
 0.27200000E+01
 0.68000000E+00
 0.17000000E+00
  
  s:  5   p:  1   d:  4
    
 0.46500000E+04
 0.93300000E+03
 0.23300000E+03
 0.58000000E+02
 0.14500000E+02
  
 0.01800000E+00

 0.45300000E+01
 0.90000000E+00
 0.23000000E+00
 0.06000000E+00
  
: start with average of small s and d
: it is close to average of small s,p,d
:
:                              SCANDIUM
SC   A1
  s:  5   p:  0   d:  5
    
 0.21000000E+05
 0.42000000E+04
 0.10500000E+04
 0.26240000E+03
 0.65600000E+02

 0.20500000E+02
 0.41000000E+01
 0.10300000E+01
 0.25600000E+00
 0.06400000E+00
  
  s:  5   p:  0   d:  5
    
 0.70000000E+04
 0.14000000E+04
 0.35000000E+03
 0.87500000E+02
 0.22000000E+02
  
 0.68000000E+01
 0.13600000E+01
 0.34000000E+00
 0.08500000E+00
 0.02100000E+00
  
:                     TITANIUM
TI   A1
  s:  5   p:  0   d:  5
    
 0.28000000E+05
 0.56000000E+04
 0.14000000E+04
 0.34800000E+03
 0.08700000E+03
  
 0.27200000E+02
 0.54400000E+01
 0.13600000E+01
 0.34000000E+00
 0.08400000E+00
  
  s:  5   p:  0   d:  5
    
 0.09300000E+05
 0.18000000E+04
 0.46000000E+03
 0.11500000E+03
 0.29000000E+02
  
 0.09000000E+02
 0.18100000E+01
 0.45000000E+00
 0.11000000E+00
 0.02800000E+00
  
:                        VANADIUM
V    A1
  s:  5   p:  0   d:  5
    
 0.33100000E+05
 0.66200000E+04
 0.16500000E+04
 0.41400000E+03
 0.10300000E+03

 0.32000000E+02
 0.64600000E+01
 0.16100000E+01
 0.40400000E+00
 0.10100000E+00
  
  s:  5   p:  0   d:  5

 0.11000000E+05
 0.22000000E+04
 0.55000000E+03
 0.13700000E+03
 0.35000000E+02
  
 0.11000000E+02
 0.21500000E+01
 0.54000000E+00
 0.13000000E+00
 0.03300000E+00
  
:                      CHROMIUM
CR   A1
  s:  5   p:  0   d:  5
    
 0.37000000E+05
 0.75300000E+04
 0.18800000E+04
 0.47100000E+03
 0.11700000E+03

 0.36800000E+02
 0.73600000E+01
 0.18400000E+01
 0.46000000E+00
 0.11500000E+00
    
  s:  5   p:  0   d:  5

 0.12300000E+05
 0.24600000E+04
 0.61600000E+03
 0.15400000E+03
 0.38500000E+02

 0.12300000E+02
 0.24500000E+01
 0.61000000E+00
 0.15000000E+00
 0.04000000E+00
  
:                     MANGANESE
MN   A1
  s:  5   p:  0   d:  5
    
 0.41000000E+05
 0.08200000E+05
 0.20500000E+04
 0.51000000E+03
 0.12800000E+03
  
 0.40000000E+02
 0.08000000E+02
 0.20000000E+01
 0.50000000E+00
 0.12500000E+00
  
    
  s:  5   p:  0   d:  5

 0.13600000E+05
 0.27300000E+04
 0.68300000E+03
 0.17000000E+03
 0.42000000E+02
  
 0.13300000E+02
 0.27000000E+01
 0.66000000E+00
 0.17000000E+00
 0.04100000E+00
  
:                     IRON
FE   A1
  s:  5   p:  0   d:  5
    
 0.44000000E+05
 0.08800000E+05
 0.22000000E+04
 0.55000000E+03
 0.13700000E+03
  
 0.43200000E+02
 0.08600000E+02
 0.22000000E+01
 0.54000000E+00
 0.13500000E+00
  
    
  s:  5   p:  0   d:  5

 0.14700000E+05
 0.29300000E+04
 0.73000000E+03
 0.18000000E+03
 0.46000000E+02
  
 0.14400000E+02
 0.29000000E+01
 0.72000000E+00
 0.18000000E+00
 0.04500000E+00
  
:                     COBALT
CO   A1
  s:  5   p:  0   d:  5
    
 0.47000000E+05
 0.09400000E+05
 0.23500000E+04
 0.59000000E+03
 0.14700000E+03
  
 0.46000000E+02
 0.09200000E+02
 0.23000000E+01
 0.58000000E+00
 0.14400000E+00
  
    
  s:  5   p:  0   d:  5

 0.15700000E+05
 0.31300000E+04
 0.78300000E+03
 0.19500000E+03
 0.49000000E+02
  
 0.15300000E+02
 0.30600000E+01
 0.76000000E+00
 0.19000000E+00
 0.04800000E+00
  
:                                  NICKEL
NI   A1
  s:  5   p:  0   d:  5
    
 0.50000000E+05
 0.09930000E+05
 0.25000000E+04
 0.62000000E+03
 0.15500000E+03
  
 0.48000000E+02
 0.09700000E+02
 0.24000000E+01
 0.60000000E+00
 0.15200000E+00
    
  s:  5   p:  0   d:  5

 0.16600000E+05
 0.33300000E+04
 0.08330000E+04
 0.20800000E+03
 0.52000000E+02
  
 0.16000000E+02
 0.32300000E+01
 0.08000000E+01
 0.20000000E+00
 0.05100000E+00
    
:                                  COPPER
CU   A1
  s:  5   p:  0   d:  5

 0.53000000E+05
 0.10500000E+05
 0.26400000E+04
 0.66000000E+03
 0.16500000E+03
  
 0.51000000E+02
 0.10300000E+02
 0.25700000E+01
 0.64000000E+00
 0.16000000E+00
    
  s:  5   p:  0   d:  5

 0.17700000E+05
 0.35300000E+04
 0.08800000E+04
 0.22000000E+03
 0.55000000E+02
  
 0.17000000E+02
 0.34300000E+01
 0.08600000E+01
 0.21300000E+00
 0.05300000E+00
  
  
:                        ZINC
ZN   A1
  s:  5   p:  0   d:  5
    
 0.75500000E+05
 0.15100000E+05
 0.37760000E+04
 0.94400000E+03
 0.23600000E+03
  
 0.74000000E+02
 0.14800000E+02
 0.37000000E+01
 0.92000000E+00
 0.23000000E+00
    
  s:  5   p:  0   d:  5

 0.25200000E+05
 0.50300000E+04
 0.12600000E+04
 0.31500000E+03
 0.78700000E+02
  
 0.24600000E+02
 0.49000000E+01
 0.12300000E+01
 0.30700000E+00
 0.07700000E+00
  
:                   GALLIUM
GA   A1
  s:  5   p:  0   d:  5
    
 0.26880000E+05
 0.53760000E+04
 0.13440000E+04
 0.33600000E+03
 0.84000000E+02
  
 0.26200000E+02
 0.52500000E+01
 0.13100000E+01
 0.33000000E+00
 0.08200000E+00

  s:  5   p:  0   d:  5
    
 0.89600000E+04
 0.17920000E+04
 0.44800000E+03
 0.11200000E+03
 0.28000000E+02
  
 0.87300000E+01
 0.17500000E+01
 0.44000000E+00
 0.11000000E+00
 0.02700000E+00
  
:                   GERMANIUM
GE   A1
  s:  5   p:  0   d:  5
    
 0.36032000E+05
 0.72060000E+04
 0.18020000E+04
 0.45000000E+03
 0.11300000E+03
  
 0.35200000E+02
 0.70400000E+01
 0.17600000E+01
 0.44000000E+00
 0.11000000E+00
  
  s:  5   p:  0   d:  5

 0.12011000E+05
 0.24020000E+04
 0.60100000E+03
 0.15000000E+03
 0.38000000E+02

 0.12000000E+02
 0.23500000E+01
 0.59000000E+00
 0.15000000E+00
 0.03700000E+00
  
:                     ARSENIC
AS   A1
  s:  5   p:  0   d:  5
    
 0.45760000E+05
 0.91520000E+04
 0.22880000E+04
 0.57200000E+03
 0.14300000E+03

 0.44800000E+02
 0.89600000E+01
 0.22400000E+01
 0.56000000E+00
 0.14000000E+00
  
  s:  5   p:  0   d:  5
    
 0.15253000E+05
 0.30510000E+04
 0.76300000E+03
 0.19100000E+03
 0.47700000E+02
  
 0.14900000E+02
 0.29900000E+01
 0.75000000E+00
 0.19000000E+00
 0.04700000E+00
  
:                     SELENIUM
SE   A1
  s:  5   p:  0   d:  5
    
 0.52160000E+05
 0.10432000E+05
 0.26080000E+04
 0.65200000E+03
 0.16300000E+03
  
 0.51000000E+02
 0.10200000E+02
 0.25600000E+01
 0.64000000E+00
 0.16000000E+00
  
  s:  5   p:  0   d:  5
    
 0.17387000E+05
 0.34770000E+04
 0.86900000E+03
 0.21700000E+03
 0.54300000E+02
  
 0.17000000E+02
 0.34000000E+01
 0.85000000E+00
 0.21000000E+00
 0.05300000E+00
  
:                      BROMIUM
BR   A1
  s:  5   p:  0   d:  5
    
 0.62480000E+05
 0.12496000E+05
 0.31230000E+04
 0.78100000E+03
 0.19500000E+03
  
 0.60800000E+02
 0.12200000E+02
 0.30400000E+01
 0.76000000E+00
 0.19000000E+00
  
  s:  5   p:  0   d:  5
    
 0.20827000E+05
 0.41650000E+04
 0.10410000E+04
 0.26000000E+03
 0.65000000E+02
  
 0.20300000E+02
 0.40700000E+01
 0.10100000E+01
 0.25000000E+00
 0.06300000E+00
  
:                      KRYPTON
KR   A1
  s:  5   p:  0   d:  5
    
 0.72320000E+05
 0.14464000E+05
 0.36160000E+04
 0.90400000E+03
 0.22600000E+03
  
 0.70500000E+02
 0.14100000E+02
 0.35200000E+01
 0.88000000E+00
 0.22000000E+00
  
  s:  5   p:  0   d:  5
    
 0.24107000E+05
 0.48210000E+04
 0.12050000E+04
 0.30100000E+03
 0.75300000E+02
  
 0.23500000E+02
 0.47000000E+01
 0.11700000E+01
 0.29000000E+00
 0.07300000E+00
  
:                        FIFTH ROW ATOMS
:                        AUXILIARY SETS
:
:                     RUBIDIUM
RB   A1
  s:  5   p:  1   d:  5
    
 0.40000000E+05
 0.82000000E+04
 0.20500000E+04
 0.51200000E+03
 0.12800000E+03
  
 0.03200000E+00

 0.40000000E+02
 0.80000000E+01
 0.20000000E+01
 0.51020000E+00
 0.12800000E+00
  
  s:  5   p:  1   d:  5
    
 0.13000000E+05
 0.27000000E+04
 0.06830000E+04
 0.17000000E+03
 0.04300000E+03
  
 0.01100000E+00

 0.13300000E+02
 0.26000000E+01
 0.66000000E+00
 0.17000000E+00
 0.04300000E+00
  
:                     STRONTIUM
SR   A1
  s:  5   p:  1   d:  5
    
 0.60000000E+05
 0.12300000E+05
 0.31000000E+04
 0.77000000E+03
 0.19200000E+03
  
 0.04700000E+00

 0.60000000E+02
 0.12000000E+02
 0.30000000E+01
 0.75220000E+00
 0.18800000E+00
  
  s:  5   p:  1   d:  5
    
 0.20000000E+05
 0.41000000E+04
 0.10000000E+04
 0.26000000E+03
 0.06400000E+03
  
 0.01600000E+00

 0.20000000E+02
 0.40000000E+01
 0.10000000E+01
 0.25000000E+00
 0.06300000E+00
  
:                          YTTRIUM
: start with small s
Y    A1
  s:  5   p:  0   d:  5
    
 0.12187500E+06
 0.20312000E+05
 0.40620000E+04
 0.81200000E+03
 0.16200000E+03

 0.39000000E+02
 0.65000000E+01
 0.13000000E+01
 0.26000000E+00
 0.05200000E+00
  
  s:  5   p:  0   d:  5
    
 0.40625000E+05
 0.67710000E+04
 0.13540000E+04
 0.27100000E+03
 0.54000000E+02

 0.13000000E+02
 0.21700000E+01
 0.43000000E+00
 0.08700000E+00
 0.01700000E+00
  
:                               ZIRCONIUM
ZR   A1
  s:  5   p:  0   d:  5
    
 0.13837500E+06
 0.23062000E+05
 0.46120000E+04
 0.92200000E+03
 0.18400000E+03

 0.44200000E+02
 0.73800000E+01
 0.14800000E+01
 0.29500000E+00
 0.05900000E+00
  
  s:  5   p:  0   d:  5
    
 0.46125000E+05
 0.76870000E+04
 0.15370000E+04
 0.30700000E+03
 0.61300000E+02

 0.14700000E+02
 0.24600000E+01
 0.49300000E+00
 0.09800000E+00
 0.02000000E+00
  
:                               NOBIUM
NB   A1
  s:  5   p:  0   d:  5
    
 0.15093800E+06
 0.25156000E+05
 0.50310000E+04
 0.10060000E+04
 0.20100000E+03

 0.48300000E+02
 0.80500000E+01
 0.16100000E+01
 0.32200000E+00
 0.06400000E+00
  
  s:  5   p:  0   d:  5

 0.50313000E+05
 0.85850000E+04
 0.16770000E+04
 0.33500000E+03
 0.67000000E+02

 0.16100000E+02
 0.26800000E+01
 0.53700000E+00
 0.10700000E+00
 0.02100000E+00
  
:                            MOLYBDENIUM
MO   A1
  s:  5   p:  0   d:  5
    
 0.16406200E+06
 0.27344000E+05
 0.54690000E+04
 0.10940000E+04
 0.21900000E+03

 0.52500000E+02
 0.87500000E+01
 0.17500000E+01
 0.35000000E+00
 0.07000000E+00
  
  s:  5   p:  0   d:  5

 0.54687000E+05
 0.91150000E+04
 0.18230000E+04
 0.36500000E+03
 0.73000000E+02

 0.17500000E+02
 0.29200000E+01
 0.58300000E+00
 0.11700000E+00
 0.02300000E+00
  
:                              TECHNICIUM
TC   A1
  s:  5   p:  0   d:  5
    
 0.17437500E+06
 0.29062000E+05
 0.58120000E+04
 0.11620000E+04
 0.23200000E+03

 0.55800000E+02
 0.93000000E+01
 0.18600000E+01
 0.37200000E+00
 0.07400000E+00
  
  s:  5   p:  0   d:  5
    
 0.58125000E+05
 0.96870000E+04
 0.19370000E+04
 0.38700000E+03
 0.77300000E+02

 0.18600000E+02
 0.31000000E+01
 0.62000000E+00
 0.12400000E+00
 0.02500000E+00
  
:                            RUTHENIUM
RU   A1
  s:  5   p:  0   d:  5
    
 0.18037500E+06
 0.30062000E+05
 0.60120000E+04
 0.12020000E+04
 0.24000000E+03

 0.57800000E+02
 0.96200000E+01
 0.19200000E+01
 0.38500000E+00
 0.07700000E+00
  
  s:  5   p:  0   d:  5
    
 0.60125000E+05
 0.10021000E+05
 0.20040000E+04
 0.40100000E+03
 0.80000000E+02

 0.19300000E+02
 0.32100000E+01
 0.64000000E+00
 0.12800000E+00
 0.02600000E+00
  
:                            RHODIUM
RH   A1
  s:  5   p:  0   d:  5
    
 0.18525000E+06
 0.30875000E+05
 0.61750000E+04
 0.12350000E+04
 0.24700000E+03

 0.59200000E+02
 0.98800000E+01
 0.19800000E+01
 0.39500000E+00
 0.07900000E+00
  
  s:  5   p:  0   d:  5
    
 0.61750000E+05
 0.10292000E+05
 0.20580000E+04
 0.41200000E+03
 0.82300000E+02
 0.19700000E+02
 0.32900000E+01
 0.66000000E+00
 0.13200000E+00
 0.02600000E+00
  
:                         PALLADIUM
PD   A1
  s:  5   p:  0   d:  5
    
 0.18750000E+06
 0.31250000E+05
 0.62500000E+04
 0.12500000E+04
 0.25000000E+03

 0.60000000E+02
 0.10000000E+02
 0.20000000E+01
 0.40000000E+00
 0.08000000E+00
  
  s:  5   p:  0   d:  5
    
 0.62500000E+05
 0.10417000E+05
 0.20830000E+04
 0.41700000E+03
 0.83300000E+02

 0.20000000E+02
 0.33300000E+01
 0.66700000E+00
 0.13300000E+00
 0.02700000E+00
  
:                         SILVER
AG   A1
  s:  5   p:  0   d:  5
    
 0.18937500E+06
 0.31562000E+05
 0.63120000E+04
 0.12620000E+04
 0.25200000E+03

 0.60800000E+02
 0.10100000E+02
 0.20200000E+01
 0.40500000E+00
 0.08100000E+00
  
  s:  5   p:  0   d:  5
    
 0.63125000E+05
 0.10521000E+05
 0.21040000E+04
 0.42100000E+03
 0.84000000E+02

 0.20300000E+02
 0.33700000E+01
 0.67300000E+00
 0.13500000E+00
 0.02700000E+00
  
:                                CADMIUM
CD   A1
  s:  5   p:  0   d:  5
    
 0.22875000E+06
 0.38125000E+05
 0.76250000E+04
 0.15250000E+04
 0.30500000E+03

 0.73500000E+02
 0.12200000E+02
 0.24500000E+01
 0.49000000E+00
 0.09800000E+00
  
  s:  5   p:  0   d:  5
    
 0.76250000E+05
 0.12708000E+05
 0.25420000E+04
 0.50800000E+03
 0.10200000E+03

 0.24500000E+02
 0.40700000E+01
 0.82000000E+00
 0.16300000E+00
 0.03300000E+00
  
:                                INDIUM
IN   A1
  s:  5   p:  0   d:  5
    
 0.16406200E+06
 0.27344000E+05
 0.54690000E+04
 0.10940000E+04
 0.21900000E+03

 0.52500000E+02
 0.87500000E+01
 0.17500000E+01
 0.35000000E+00
 0.07000000E+00
  
  s:  5   p:  0   d:  5
    
 0.54687000E+05
 0.91150000E+04
 0.18230000E+04
 0.36500000E+03
 0.73000000E+02

 0.17500000E+02
 0.29200000E+01
 0.58300000E+00
 0.11700000E+00
 0.02300000E+00
  
:                               TIN
SN   A1
  s:  5   p:  0   d:  5
    
 0.20437500E+06
 0.34062000E+05
 0.68120000E+04
 0.13620000E+04
 0.27200000E+03

 0.65200000E+02
 0.10900000E+02
 0.21800000E+01
 0.43500000E+00
 0.08700000E+00
  
  s:  5   p:  0   d:  5
    
 0.68125000E+05
 0.11354000E+05
 0.22710000E+04
 0.45400000E+03
 0.90700000E+02

 0.21700000E+02
 0.36300000E+01
 0.72700000E+00
 0.14500000E+00
 0.02900000E+00
  
:                             ANTYMONIUM
SB   A1
  s:  5   p:  0   d:  5
    
 0.25312500E+06
 0.42188000E+05
 0.84380000E+04
 0.16880000E+04
 0.33800000E+03

 0.81000000E+02
 0.13500000E+02
 0.27000000E+01
 0.54000000E+00
 0.10800000E+00
  
  s:  5   p:  0   d:  5
    
 0.84375000E+05
 0.14063000E+05
 0.28130000E+04
 0.56300000E+03
 0.11300000E+03

 0.27000000E+02
 0.45000000E+01
 0.90000000E+00
 0.18000000E+00
 0.03600000E+00
  
:                         TELLIUM
TE   A1
  s:  5   p:  0   d:  5
    
 0.29062500E+06
 0.48438000E+05
 0.96880000E+04
 0.19380000E+04
 0.38800000E+03

 0.93000000E+02
 0.15500000E+02
 0.31000000E+01
 0.62000000E+00
 0.12400000E+00
  
  s:  5   p:  0   d:  5
    
 0.96875000E+05
 0.16146000E+05
 0.32290000E+04
 0.64600000E+03
 0.12900000E+03

 0.31000000E+02
 0.51700000E+01
 0.10300000E+01
 0.20700000E+00
 0.04100000E+00

:                      IODINE
I    A1
  s:  5   p:  0   d:  5
    
 0.33562500E+06
 0.55938000E+05
 0.11188000E+05
 0.22380000E+04
 0.44800000E+03

 0.10700000E+03
 0.17900000E+02
 0.35800000E+01
 0.71500000E+00
 0.14300000E+00
    
  s:  5   p:  0   d:  5

 0.11187500E+06
 0.18646000E+05
 0.37290000E+04
 0.74600000E+03
 0.14900000E+03

 0.35700000E+02
 0.59700000E+01
 0.11900000E+01
 0.23800000E+00
 0.04800000E+00
  
:                         XENON
XE   A1
  s:  5   p:  0   d:  5
    
 0.38437500E+06
 0.64062000E+05
 0.12812000E+05
 0.25620000E+04
 0.51200000E+03

 0.12300000E+03
 0.20500000E+02
 0.41000000E+01
 0.82000000E+00
 0.16400000E+00
    
  s:  5   p:  0   d:  5
 0.12812500E+06
 0.21354000E+05
 0.42710000E+04
 0.85400000E+03
 0.17100000E+03

 0.41000000E+02
 0.68300000E+01
 0.13700000E+01
 0.27300000E+00
 0.05500000E+00

:**************************************************
: Pople-type Split-valence basis sets
:**************************************************

:*******************************
:              STO3G
:*******************************
H    STO3G
  s: 1
  3.42525091 0.62391373 0.16885540
  0.15432897 0.53532814 0.44463454

C    STO3G
  s: 2  p: 1
  71.61683735  13.04509632  3.53051216
   0.15432897   0.53532814  0.44463454

   2.94124936   0.68348310  0.22228992
  -0.09996723   0.39951283  0.70011547

   2.94124936   0.68348310  0.22228992
   0.15591628   0.60768372  0.39195739

N    STO3G
   s: 2  p: 1
   99.10616896  18.05231239  4.88566024
   0.15432897   0.53532814  0.44463454

   3.78045588  0.87849664  0.28571437
  -0.09996723   0.39951283  0.70011547

   3.78045588  0.87849664  0.28571437
   0.15591628   0.60768372  0.39195739

O    STO3G
   s: 2  p: 1
   130.70932136  23.80886605  6.44360831
   0.15432897   0.53532814  0.44463454

   5.03315132  1.16959612  0.38038896
  -0.09996723   0.39951283  0.7001154

   5.03315132  1.16959612  0.38038896
   0.15591628   0.60768372  0.39195739

P    STO3G
   s: 3  p: 2
   468.36563779  85.31338559  23.08913156
   0.15432897   0.53532814  0.44463454

  28.03263958  6.51418258  2.11861435
 -0.09996723   0.39951283  0.7001154

  1.74310323  0.48632138  0.19034289
  -0.21962037 0.22559543 0.90039843

  28.03263958  6.51418258  2.11861435
   0.15591628   0.60768372  0.39195739

  1.74310323  0.48632138  0.19034289
   0.01058760 0.59516701 0.46200101

CL   STO3G
   s: 3 p: 2
   601.34561358  109.53585418  29.64467686
   0.15432897   0.53532814  0.44463454

   38.96041889 9.05356348 2.94449983
   -0.09996723   0.39951283  0.7001154

   2.12938650 0.59409343 0.23252414
  -0.21962037 0.22559543 0.90039843

   38.96041889 9.05356348 2.94449983
   0.15591628   0.60768372  0.39195739

   2.12938650 0.59409343 0.23252414
   0.01058760 0.59516701 0.46200101
:
:*******************************
:              3-21G
:*******************************
:-------------------------------------
H         3-21G
  s: 2    

scale_s1=1.1
s1:  4.5018      0.681444
     0.156285    0.904691
scale_s2=1.1
s2:  0.151398

:-----------------------------

HE        3-21G
  s:2     

s1:  11.2617     1.65236
     0.17523     0.893483
s2:  0.316523

:-------------------------------------

LI        3-21G
  s: 3    p: 2

s1:  36.8382     5.48172     1.11327
     0.0696686   0.381346    0.681702
s2:  0.540205    0.102255
    -0.263127    1.14339
s3:  0.0285645

p1:  0.540205    0.102255
     0.161546    0.915663
p2:  0.0285645

:-------------------------------------

BE        3-21G
  s: 3    p: 2

s1:  71.8876     10.7289     2.22205
     0.0644263   0.366096    0.695934
s2:  1.29548     0.268881
    -0.421064    1.22407
s3:  0.0773501

p1:  1.29548     0.268881
     0.205132    0.882528
p2:  0.0773501

:-------------------------------------

B         3-21G
  s: 3    p: 2

s1:  116.434     17.4314     3.68016
     0.0629605   0.363304    0.697255
s2:  2.28187     0.465248
    -0.368662    1.19944
s3:  0.124328

p1:  2.28187     0.465248
     0.231152    0.866764
p2:  0.124328

:------------------------------------

C         3-21G
  s: 3    p: 2

s1:  172.256     25.9109     5.53335
     0.0617669   0.358794    0.700713
s2:  3.66498     0.770545
    -0.395897    1.21584
s3:  0.195857

p1:  3.66498     0.770545
     0.236460    0.860619
p2:  0.195857

:-----------------------------------

N         3-21G
  s: 3    p: 2

s1:  242.766     36.4851     7.81449
     0.0598657   0.352955    0.706513
s2:  5.42522     1.14915
    -0.413301    1.22442
s3:  0.283205

p1:  5.42522     1.14915
     0.237972    0.858953
p2:  0.283205

:------------------------------------

O         3-21G
  s: 3    p: 2

s1:  322.037     48.4308     10.4206
     0.0592394   0.3515      0.707658
s2:  7.40294     1.5762
    -0.404453    1.22156
s3:  0.373684

p1:  7.40294     1.5762
     0.244586    0.853955
p2:  0.373684

:------------------------------------

F         3-21G
  s: 3    p: 2

s1:  413.801     62.2446     13.434
     0.0585483   0.349308    0.709632
s2:  9.77759     2.08617
    -0.407327    1.22314
s3:  0.482383

p1:  9.77759     2.08617
     0.24668     0.852321
p2:  0.482383

:------------------------------------

NE        3-21G
  s: 3    p: 2

s1:  515.724     77.6538     16.8136
     0.058143    0.347951    0.710714
s2:  12.483      2.66451
    -0.409922    1.22431
s3:  0.60625

p1:  12.483      2.66451
     0.24746     0.851743
p2:  0.60625

:------------------------------------

NA        3-21G
  s: 4    p: 3

s1:  547.613     82.0678     17.6917
     0.0674911   0.393505    0.665605
s2:  17.5407     3.79398     0.906441
    -0.111937    0.254654    0.844417
s3:  0.501824    0.0609458
    -0.21966     1.08912
s4:  0.0244349

p1:  17.5407     3.79398     0.906441
     0.128233    0.471533    0.604273
p2:  0.501824    0.0609458
     0.00906649  0.997202
p3:  0.0244349

:------------------------------------

MG        3-21G
  s: 4    p: 3

s1:  652.841     98.3805     21.2996
     0.0675982   0.391778    0.666661
s2:  23.3727     5.19953     1.31508
    -0.110246    0.184119    0.896399
s3:  0.611349    0.141841
    -0.361101    1.21505
s4:  0.0464011

p1:  23.3727     5.19953     1.31508
     0.121014    0.462810    0.606907
p2:  0.611349    0.141841
     0.0242633   0.986673
p3:  0.0464011

:------------------------------------

AL        3-21G
  s: 4    p: 3

s1:  775.737     116.952     25.3326
     0.0668347   0.389061    0.669468
s2:  29.4796     6.63314     1.72675
    -0.107902    0.146245    0.92373
s3:  0.94616     0.202506
    -0.320327    1.18412
s4:  0.0639088

p1:  29.4796     6.63314     1.72675
     0.117574    0.461174    0.605535
p2:  0.94616     0.202506
     0.0519383   0.97266
p3:  0.0639088

:------------------------------------

SI        3-21G
  s: 4    p: 3

s1:  910.655     137.336     29.7601
     0.0660823   0.386229    0.67238
s2:  36.6716     8.31729     2.21645
    -0.104511    0.10741     0.951446
s3:  1.07913     0.302422
    -0.376108    1.25165
s4:  0.0933392

p1:  36.6716     8.31729     2.21645
     0.113355    0.457578    0.607427
p2:  1.07913     0.302422
     0.067103    0.956883
p3:  0.0933392

:------------------------------------

P         3-21G
  s: 4    p: 3

s1:  1054.9      159.195     34.5304
     0.0655407   0.384036    0.674541
s2:  44.2866     10.1019     2.73997
    -0.10213     0.0815922   0.969788
s3:  1.21865     0.395546
    -0.371495    1.27099
s4:  0.122811

p1:  44.2866     10.1019     2.73997
     0.110851    0.456495    0.606936
p2:  1.21865     0.395546
     0.0915823   0.934924
p3:  0.122811

:------------------------------------

S         3-21G
  s: 4    p: 3

s1:  1210.62     182.747     39.6673
     0.0650071   0.38204     0.676545
s2:  52.2236     11.9629     3.28911
    -0.10031     0.0650877   0.981455
s3:  1.22384     0.457303
    -0.286089    1.22806
s4:  0.142269

p1:  52.2236     11.9629     3.28911
     0.109646    0.457649    0.604261
p2:  1.22384     0.457303
     0.164777    0.870855
p3:  0.142269

:-------------------------------------

CL        3-21G
  s: 4    p: 3

s1:  1376.4      207.857     45.1554
     0.0645827   0.380363    0.67819
s2:  60.8014     13.9765     3.8871
    -0.0987639   0.0511338   0.991337
s3:  1.35299     0.526955
    -0.222401    1.18252
s4:  0.166714

p1:  60.8014     13.9765     3.8871
     0.108598    0.458682    0.601962
p2:  1.35299     0.526955
     0.219216    0.822321
p3:  0.166714

:-------------------------------------

AR        3-21G
  s: 4    p: 3

s1:  1553.71     234.678     51.0121
     0.0641707   0.378797    0.679752
s2:  70.0453     16.1473     4.53492
    -0.0974661   0.0390569   0.999916
s3:  1.54209     0.607267
    -0.176866    1.1469
s4:  0.195373

p1:  70.0453     16.1473     4.53492
     0.107619    0.459576    0.600041
p2:  1.54209     0.607267
     0.255687    0.789842
p3:  0.195373

:------------------------------------
:*******************************
:              3-21G*
:*******************************
:-------------------------------------
H         3-21G*
  s: 2    

scale_s1=1.1
s1:  4.5018      0.681444
     0.156285    0.904691
scale_s2=1.1
s2:  0.151398
:-----------------------------

HE        3-21G*
  s:2     

s1:  11.2617     1.65236
     0.17523     0.893483
s2:  0.316523

:-------------------------------------

LI        3-21G*
  s: 3    p: 2  d: 1

s1:  36.8382     5.48172     1.11327
     0.0696686   0.381346    0.681702
s2:  0.540205    0.102255
    -0.263127    1.14339
s3:  0.0285645

p1:  0.540205    0.102255
     0.161546    0.915663
p2:  0.0285645

d:   1.0
:-------------------------------------

BE        3-21G*
  s: 3    p: 2  d: 1

s1:  71.8876     10.7289     2.22205
     0.0644263   0.366096    0.695934
s2:  1.29548     0.268881
    -0.421064    1.22407
s3:  0.0773501

p1:  1.29548     0.268881
     0.205132    0.882528
p2:  0.0773501

d:   1.0
:-------------------------------------

B         3-21G*
  s: 3    p: 2  d: 1

s1:  116.434     17.4314     3.68016
     0.0629605   0.363304    0.697255
s2:  2.28187     0.465248
    -0.368662    1.19944
s3:  0.124328

p1:  2.28187     0.465248
     0.231152    0.866764
p2:  0.124328

d:   1.0
:------------------------------------

C         3-21G*
  s: 3    p: 2  d: 1

s1:  172.256     25.9109     5.53335
     0.0617669   0.358794    0.700713
s2:  3.66498     0.770545
    -0.395897    1.21584
s3:  0.195857

p1:  3.66498     0.770545
     0.236460    0.860619
p2:  0.195857

d:   1.0
:-----------------------------------

N         3-21G*
  s: 3    p: 2  d: 1

s1:  242.766     36.4851     7.81449
     0.0598657   0.352955    0.706513
s2:  5.42522     1.14915
    -0.413301    1.22442
s3:  0.283205

p1:  5.42522     1.14915
     0.237972    0.858953
p2:  0.283205

d:   1.0
:------------------------------------

O         3-21G*
  s: 3    p: 2  d: 1

s1:  322.037     48.4308     10.4206
     0.0592394   0.3515      0.707658
s2:  7.40294     1.5762
    -0.404453    1.22156
s3:  0.373684

p1:  7.40294     1.5762
     0.244586    0.853955
p2:  0.373684

d:   1.0
:------------------------------------

F         3-21G*
  s: 3    p: 2  d: 1

s1:  413.801     62.2446     13.434
     0.0585483   0.349308    0.709632
s2:  9.77759     2.08617
    -0.407327    1.22314
s3:  0.482383

p1:  9.77759     2.08617
     0.24668     0.852321
p2:  0.482383

d:   1.0
:------------------------------------

NE        3-21G*
  s: 3    p: 2  d: 1

s1:  515.724     77.6538     16.8136
     0.058143    0.347951    0.710714
s2:  12.483      2.66451
    -0.409922    1.22431
s3:  0.60625

p1:  12.483      2.66451
     0.24746     0.851743
p2:  0.60625

d:   1.0
:------------------------------------

NA        3-21G*
  s: 4    p: 3  d: 1

s1:  547.613     82.0678     17.6917
     0.0674911   0.393505    0.665605
s2:  17.5407     3.79398     0.906441
    -0.111937    0.254654    0.844417
s3:  0.501824    0.0609458
    -0.21966     1.08912
s4:  0.0244349

p1:  17.5407     3.79398     0.906441
     0.128233    0.471533    0.604273
p2:  0.501824    0.0609458
     0.00906649  0.997202
p3:  0.0244349

d:   0.175
:------------------------------------

MG        3-21G*
  s: 4    p: 3  d: 1

s1:  652.841     98.3805     21.2996
     0.0675982   0.391778    0.666661
s2:  23.3727     5.19953     1.31508
    -0.110246    0.184119    0.896399
s3:  0.611349    0.141841
    -0.361101    1.21505
s4:  0.0464011

p1:  23.3727     5.19953     1.31508
     0.121014    0.462810    0.606907
p2:  0.611349    0.141841
     0.0242633   0.986673
p3:  0.0464011

d:   0.175
:------------------------------------

AL        3-21G*
  s: 4    p: 3  d: 1

s1:  775.737     116.952     25.3326
     0.0668347   0.389061    0.669468
s2:  29.4796     6.63314     1.72675
    -0.107902    0.146245    0.92373
s3:  0.94616     0.202506
    -0.320327    1.18412
s4:  0.0639088

p1:  29.4796     6.63314     1.72675
     0.117574    0.461174    0.605535
p2:  0.94616     0.202506
     0.0519383   0.97266
p3:  0.0639088

d:  0.325
:------------------------------------

SI        3-21G*
  s: 4    p: 3  d: 1

s1:  910.655     137.336     29.7601
     0.0660823   0.386229    0.67238
s2:  36.6716     8.31729     2.21645
    -0.104511    0.10741     0.951446
s3:  1.07913     0.302422
    -0.376108    1.25165
s4:  0.0933392

p1:  36.6716     8.31729     2.21645
     0.113355    0.457578    0.607427
p2:  1.07913     0.302422
     0.067103    0.956883
p3:  0.0933392

d:   0.45
:------------------------------------

P         3-21G*
  s: 4    p: 3  d: 1

s1:  1054.9      159.195     34.5304
     0.0655407   0.384036    0.674541
s2:  44.2866     10.1019     2.73997
    -0.10213     0.0815922   0.969788
s3:  1.21865     0.395546
    -0.371495    1.27099
s4:  0.122811

p1:  44.2866     10.1019     2.73997
     0.110851    0.456495    0.606936
p2:  1.21865     0.395546
     0.0915823   0.934924
p3:  0.122811

d:   0.55
:------------------------------------

S         3-21G*
  s: 4    p: 3  d: 1

s1:  1210.62     182.747     39.6673
     0.0650071   0.38204     0.676545
s2:  52.2236     11.9629     3.28911
    -0.10031     0.0650877   0.981455
s3:  1.22384     0.457303
    -0.286089    1.22806
s4:  0.142269

p1:  52.2236     11.9629     3.28911
     0.109646    0.457649    0.604261
p2:  1.22384     0.457303
     0.164777    0.870855
p3:  0.142269

d:   0.65
:-------------------------------------

CL        3-21G*
  s: 4    p: 3  d: 1

s1:  1376.4      207.857     45.1554
     0.0645827   0.380363    0.67819
s2:  60.8014     13.9765     3.8871
    -0.0987639   0.0511338   0.991337
s3:  1.35299     0.526955
    -0.222401    1.18252
s4:  0.166714

p1:  60.8014     13.9765     3.8871
     0.108598    0.458682    0.601962
p2:  1.35299     0.526955
     0.219216    0.822321
p3:  0.166714

d:   0.75
:-------------------------------------

AR        3-21G*
  s: 4    p: 3  d: 1

s1:  1553.71     234.678     51.0121
     0.0641707   0.378797    0.679752
s2:  70.0453     16.1473     4.53492
    -0.0974661   0.0390569   0.999916
s3:  1.54209     0.607267
    -0.176866    1.1469
s4:  0.195373

p1:  70.0453     16.1473     4.53492
     0.107619    0.459576    0.600041
p2:  1.54209     0.607267
     0.255687    0.789842
p3:  0.195373

d:   0.85
:------------------------------------
:*******************************
:              3-21G**
:*******************************
:-------------------------------------
H         3-21G**
  s: 2    p: 1

scale_s1=1.1
s1:  4.5018      0.681444
     0.156285    0.904691
scale_s2=1.1
s2:  0.151398

p1:  1.1
:-----------------------------

HE        3-21G**
  s:2     p: 1

s1:  11.2617     1.65236
     0.17523     0.893483
s2:  0.316523

p1:  1.1
:-------------------------------------

LI        3-21G**
  s: 3    p: 2  d: 1

s1:  36.8382     5.48172     1.11327
     0.0696686   0.381346    0.681702
s2:  0.540205    0.102255
    -0.263127    1.14339
s3:  0.0285645

p1:  0.540205    0.102255
     0.161546    0.915663
p2:  0.0285645

d:   1.0
:-------------------------------------

BE        3-21G**
  s: 3    p: 2  d: 1

s1:  71.8876     10.7289     2.22205
     0.0644263   0.366096    0.695934
s2:  1.29548     0.268881
    -0.421064    1.22407
s3:  0.0773501

p1:  1.29548     0.268881
     0.205132    0.882528
p2:  0.0773501

d:   1.0
:-------------------------------------

B         3-21G**
  s: 3    p: 2  d: 1

s1:  116.434     17.4314     3.68016
     0.0629605   0.363304    0.697255
s2:  2.28187     0.465248
    -0.368662    1.19944
s3:  0.124328

p1:  2.28187     0.465248
     0.231152    0.866764
p2:  0.124328

d:   1.0
:------------------------------------

C         3-21G**
  s: 3    p: 2  d: 1

s1:  172.256     25.9109     5.53335
     0.0617669   0.358794    0.700713
s2:  3.66498     0.770545
    -0.395897    1.21584
s3:  0.195857

p1:  3.66498     0.770545
     0.236460    0.860619
p2:  0.195857

d:   1.0
:-----------------------------------

N         3-21G**
  s: 3    p: 2  d: 1

s1:  242.766     36.4851     7.81449
     0.0598657   0.352955    0.706513
s2:  5.42522     1.14915
    -0.413301    1.22442
s3:  0.283205

p1:  5.42522     1.14915
     0.237972    0.858953
p2:  0.283205

d:   1.0
:------------------------------------

O         3-21G**
  s: 3    p: 2  d: 1

s1:  322.037     48.4308     10.4206
     0.0592394   0.3515      0.707658
s2:  7.40294     1.5762
    -0.404453    1.22156
s3:  0.373684

p1:  7.40294     1.5762
     0.244586    0.853955
p2:  0.373684

d:   1.0
:------------------------------------

F         3-21G**
  s: 3    p: 2  d: 1

s1:  413.801     62.2446     13.434
     0.0585483   0.349308    0.709632
s2:  9.77759     2.08617
    -0.407327    1.22314
s3:  0.482383

p1:  9.77759     2.08617
     0.24668     0.852321
p2:  0.482383

d:   1.0
:------------------------------------

NE        3-21G**
  s: 3    p: 2  d: 1

s1:  515.724     77.6538     16.8136
     0.058143    0.347951    0.710714
s2:  12.483      2.66451
    -0.409922    1.22431
s3:  0.60625

p1:  12.483      2.66451
     0.24746     0.851743
p2:  0.60625

d:   1.0
:------------------------------------

NA        3-21G**
  s: 4    p: 3  d: 1

s1:  547.613     82.0678     17.6917
     0.0674911   0.393505    0.665605
s2:  17.5407     3.79398     0.906441
    -0.111937    0.254654    0.844417
s3:  0.501824    0.0609458
    -0.21966     1.08912
s4:  0.0244349

p1:  17.5407     3.79398     0.906441
     0.128233    0.471533    0.604273
p2:  0.501824    0.0609458
     0.00906649  0.997202
p3:  0.0244349

d:   0.175
:------------------------------------

MG        3-21G**
  s: 4    p: 3  d: 1

s1:  652.841     98.3805     21.2996
     0.0675982   0.391778    0.666661
s2:  23.3727     5.19953     1.31508
    -0.110246    0.184119    0.896399
s3:  0.611349    0.141841
    -0.361101    1.21505
s4:  0.0464011

p1:  23.3727     5.19953     1.31508
     0.121014    0.462810    0.606907
p2:  0.611349    0.141841
     0.0242633   0.986673
p3:  0.0464011

d:   0.175
:------------------------------------

AL        3-21G**
  s: 4    p: 3  d: 1

s1:  775.737     116.952     25.3326
     0.0668347   0.389061    0.669468
s2:  29.4796     6.63314     1.72675
    -0.107902    0.146245    0.92373
s3:  0.94616     0.202506
    -0.320327    1.18412
s4:  0.0639088

p1:  29.4796     6.63314     1.72675
     0.117574    0.461174    0.605535
p2:  0.94616     0.202506
     0.0519383   0.97266
p3:  0.0639088

d:  0.325
:------------------------------------

SI        3-21G**
  s: 4    p: 3  d: 1

s1:  910.655     137.336     29.7601
     0.0660823   0.386229    0.67238
s2:  36.6716     8.31729     2.21645
    -0.104511    0.10741     0.951446
s3:  1.07913     0.302422
    -0.376108    1.25165
s4:  0.0933392

p1:  36.6716     8.31729     2.21645
     0.113355    0.457578    0.607427
p2:  1.07913     0.302422
     0.067103    0.956883
p3:  0.0933392

d:   0.45
:------------------------------------

P         3-21G**
  s: 4    p: 3  d: 1

s1:  1054.9      159.195     34.5304
     0.0655407   0.384036    0.674541
s2:  44.2866     10.1019     2.73997
    -0.10213     0.0815922   0.969788
s3:  1.21865     0.395546
    -0.371495    1.27099
s4:  0.122811

p1:  44.2866     10.1019     2.73997
     0.110851    0.456495    0.606936
p2:  1.21865     0.395546
     0.0915823   0.934924
p3:  0.122811

d:   0.55
:------------------------------------

S         3-21G**
  s: 4    p: 3  d: 1

s1:  1210.62     182.747     39.6673
     0.0650071   0.38204     0.676545
s2:  52.2236     11.9629     3.28911
    -0.10031     0.0650877   0.981455
s3:  1.22384     0.457303
    -0.286089    1.22806
s4:  0.142269

p1:  52.2236     11.9629     3.28911
     0.109646    0.457649    0.604261
p2:  1.22384     0.457303
     0.164777    0.870855
p3:  0.142269

d:   0.65
:-------------------------------------

CL        3-21G**
  s: 4    p: 3  d: 1

s1:  1376.4      207.857     45.1554
     0.0645827   0.380363    0.67819
s2:  60.8014     13.9765     3.8871
    -0.0987639   0.0511338   0.991337
s3:  1.35299     0.526955
    -0.222401    1.18252
s4:  0.166714

p1:  60.8014     13.9765     3.8871
     0.108598    0.458682    0.601962
p2:  1.35299     0.526955
     0.219216    0.822321
p3:  0.166714

d:   0.75
:-------------------------------------

AR        3-21G**
  s: 4    p: 3  d: 1

s1:  1553.71     234.678     51.0121
     0.0641707   0.378797    0.679752
s2:  70.0453     16.1473     4.53492
    -0.0974661   0.0390569   0.999916
s3:  1.54209     0.607267
    -0.176866    1.1469
s4:  0.195373

p1:  70.0453     16.1473     4.53492
     0.107619    0.459576    0.600041
p2:  1.54209     0.607267
     0.255687    0.789842
p3:  0.195373

d:   0.85
:------------------------------------
                                    

:*****************************
:            4-31G*
:*****************************

H         4-31G*
  s: 2    p: 0

scale_s1=1.2
s1:    13.007734       1.96207942     0.444528953
       0.03349460434   0.2347269535   0.8137573262
scale_s2=1.2
s2:   0.121949156

:--------------------------------------------------


H         4-31G**
  s: 2    p: 1

scale_s1=1.2
s1:    13.007734       1.96207942     0.444528953
       0.03349460434   0.2347269535   0.8137573262
scale_s2=1.2
s2:   0.121949156

p1:   1.1
:--------------------------------------------------

HE        4-31G
s: 2

s1:   38.421634   5.77803    1.241774
      0.023766    0.154679   0.46963
s2:   0.297964
:-------------------------------------

B         4-31G*
  s: 3    p: 2    d: 1

s1:   330.752852   49.843865   11.1170535   2.92272431
      0.0179941796   0.1246937   0.434335375   0.560979374
scale_s2=1.03
s2:   5.35513679   1.37091582   0.403787893
     -0.130387078   -0.25143439   1.2051292
s3:   0.114970642

scale_p1=1.03
p1:   5.35513679   1.37091582   0.403787893
      0.0637429225   0.276133053   0.777386596
scale_p2=1.12
p2:   0.114970642

d1:   0.6
:-----------------------------------------------------

C         4-31G*
  s: 3    p: 2    d: 1

s1:   486.966928   73.3710942    16.4134579   4.34498356
      0.0177258229   0.123477867    0.4338754   0.561504197
s2:   8.67352531   2.09661926   0.604651329
     -0.121383749   -0.227338498   1.18517392
scale_s3=1.04
s3:   0.169709532

p1:   8.67352531   2.09661926   0.604651329
      0.0635453841   0.298267757   0.762103228
scale_p2=1.04
p2:   0.169709532

d1:   0.8
:-------------------------------------------------------

N         4-31G*
  s: 3    p: 2    d: 1

s1:   671.279503     1.01201662    22.6999659    6.040609
      0.0175982511   0.122846241   0.433782141   0.561418217
scale_s2=0.99
s2:   1.264524       2.98171904    0.849431769
     -0.117489299   -0.213994016   1.17450211
scale_s3=0.98
s3:   0.235281313

scale_p1=0.99
p1:   1.264524       2.98171904    0.849431769
      0.0640203443   0.311202555   0.752748239
scale_p2=0.98
p2:   0.235281313

d1:   0.8
:------------------------------------------------------------------

O         4-31G*
  s: 3    p: 2    d: 1

s1:   883.27286      133.12928     29.9064079    7.97867716
      0.017550628    0.122829223   0.434883584   0.560010804
scale_s2=0.99
s2:   16.5232595     3.85683708    1.09272888
     -0.113401003   -0.177286466   1.15040793
scale_s3=0.98
s3:   0.295585007

scale_p1=0.99
p1:   16.5232595     3.85683708    1.09272888
      0.0685452747   0.331225435   0.734607878
scale_p2=0.98
p2:   0.295585007

d1:   0.8
:------------------------------------------------------------------

F         4-31G*
  s: 3    p: 2    d: 1

s1:   1126.16269     169.743157    38.1815112   10.2120359
      0.0174757609   0.122523089   0.434998502  0.559812167
s2:   21.4953667     4.98977757    1.40357386
     -0.111057079   -0.168322101   1.14362555
s3:   0.373031835

p1:   21.4953667     4.98977757    1.40357386
      0.0698887508   0.33938751    0.727958981
p2:   0.373031835

d1:   0.8      
:-------------------------------------------------------------------

NE        4-31G*
  s: 3    p: 2    d: 1

s1:   1397.93208     210.769781    47.4672569    12.7226263
      0.0174238054   0.122272745   0.435014232   0.559714642
s2:   27.2130332     6.29413435    1.76005125
     -0.109609439   -0.16412489    1.14015159
s3:   0.461866992

p1:   27.2130332     6.29413435    1.76005125
      0.704403067    0.343993047   0.72451496
p2:   0.461866992

d1:   0.8
:-------------------------------------------------------------

:*****************************
:            6-311G
:*****************************


H         6-311G
  s: 3    p: 0

s1:  33.865       5.09479      1.15879
     0.0254938    0.190373     0.852161
s2:  0.32584
s3:  0.102741

:p1:  0.75
:--------------------------------------

HE        6-311G
  s: 3    p: 0

s1:  98.1243     14.7689    3.31883
     0.0287452   0.208061   0.837635
s2:  0.874047
s3:  0.244564

:p1:  0.75
:-------------------------------------

LI        6-311G
  s: 4    p: 3  

s1:  900.46      134.433    30.4365    8.62639   2.48332   0.303179
     0.00228704  0.017635   0.0873434  0.280977  0.658741  0.118712
s2:  4.8689      0.856924   0.243227
     0.0933293   0.943045  -0.00279827
s3:  0.063507
s4:  0.0243683

p1:  4.8689      0.856924   0.243227
     0.0327661   0.159792   0.885667
p2:  0.063507
p3:  0.0243683

:---------------------------------------------------------------------

BE        6-311G
  s: 4    p: 3  

s1:  1682.8      251.715    57.4116    16.5171   4.85364   0.626863
     0.00228574  0.0175938  0.0863315  0.281835  0.640594  0.144467
s2:  8.30938     1.74075    0.485816
     0.108621    0.927301  -0.00297169
s3:  0.163613
s4:  0.0567285

p1:  8.30938     1.74075    0.485816
     0.0361344   0.216958   0.841839
p2:  0.163613
p3:  0.0567285

:---------------------------------------------------------------------

B         6-311G
  s: 4    p: 3  

s1:  2858.89     428.14      97.5282   27.9693   8.21577   1.11278
     0.00215375  0.0165823   0.082187  0.276618  0.629316  0.17377
s2:  13.2415     3.00166     0.912856
     0.117443    0.918002   -0.00265105
s3:  0.315454
s4:  0.0988563

p1:  13.2415     3.00166     0.912856
     0.04181     0.236575    0.816214
p2:  0.315454
p3:  0.0988563

:-----------------------------------------------------------------

C         6-311G
  s: 4    p: 3 

s1:  4563.24     682.024    154.973    44.4553   13.029    1.82773
     0.00196665  0.0152306  0.0761269  0.260801  0.616462  0.221
s2:  20.9642     4.80331    1.45933
     0.11466     0.919999  -0.00303068
s3:  0.483456
s4:  0.145585

p1:  20.9642     4.80331    1.45933
     0.0402487   0.237594   0.815854
p2:  0.483456
p3:  0.145585

:-------------------------------------------------------------------

N         6-311G
  s: 4    p: 3

s1:  6293.48     949.044    218.776    63.6916   18.8282   2.72023
     0.00196979  0.0149613  0.0735006  0.248937  0.60246   0.256202
s2:  30.6331     7.02614    2.11205
     0.111906    0.921666  -0.00256919
s3:  0.684009
s4:  0.200878

p1:  30.6331     7.02614    2.11205
     0.0383119   0.237403   0.817592
p2:  0.684009
p3:  0.200878

:--------------------------------------------------------------------

O         6-311G
  s: 4    p: 3 

s1:  8588.5       1297.23     299.296   87.3771     25.6789   3.74004
     0.00189515   0.0143859   0.070732  0.240001    0.594797  0.280802
s2:  42.1175      9.62837     2.85332
     0.113889     0.920811   -0.00327447
s3:  0.905661
s4:  0.255611

p1:  42.1175      9.62837     2.85332
     0.0365114    0.237153    0.819702
p2:  0.905661
p3:  0.255611

:--------------------------------------------------------------------

F         6-311G
  s: 4    p: 3 

s1:  11427.1     1722.35    395.746    115.139   33.6026   4.91901
     0.00180093  0.0137419  0.0681334  0.233325  0.589086  0.299505
s2:  55.4441     12.6323    3.71756
     0.114536    0.920512  -0.00337804
s3:  1.16545
s4:  0.321892

p1:  55.4441     12.6323    3.71756
     0.0354609   0.237451   0.820458
p2:  1.16545
p3:  0.321892

:---------------------------------------------------------------------

NE        6-311G
  s: 4    p: 3 

s1:  13995.7     2117.1     490.425    143.833   41.9265   6.15684
     0.00183276  0.0138827  0.0680687  0.231328  0.58589   0.305883
s2:  69.1211     15.835     4.67326
     0.119149    0.917375  -0.00405839
s3:  1.45756
s4:  0.397057

p1:  69.1211     15.835     4.67326
     0.0356574   0.239477   0.818461
p2:  1.45756
p3:  0.397057

:-----------------------------------------------------------------

NA        6-311G
  s: 6    p: 5  

s1:  36166.4   5372.58   1213.21    339.623   109.553   38.7773
     1.032E-3  8.071E-3  4.2129E-2  0.169789  0.514621  0.379817
s2:  38.7773   14.5759   5.26993
     0.374762  0.575769  0.112933
s3:  1.82777
s4:  0.619948
s5:  5.724E-2
s6:  2.4048E-2
 
p1:  144.645    33.9074    10.6285   3.82389
     1.1485E-2  8.2383E-2  0.319658  0.701295
p2:  1.44429   0.552621
     0.638506  0.425365
p3:  0.18872
p4:  4.6501E-2
p5:  1.6285E-2

:-----------------------------

MG        6-311G
 s: 6  p: 5  
 
s1: 43866.5  6605.37   1513.26    432.317   142.149   51.3983
    9.18E-4  7.047E-3  3.5941E-2  0.141461  0.426764  0.497975
s2: 51.3983   19.9196   8.02474
    0.251355  0.618671  0.188417
s3: 2.50817
s4: 0.871531
s5: 0.108188
s6: 4.013E-2
 
p1: 193.854    45.442    14.1864   5.05751
    1.0188E-2  7.536E-2  0.307419  0.717575
p2: 1.88861   0.722652
    0.667339  0.394649
p3: 0.236417
p4: 9.3358E-2
p5: 3.4809E-2

:-----------------------------

AL        6-311G
  s: 6   p: 5   

s1:  54866.489   8211.7665  1866.1761  531.12934  175.11797  64.0055
     8.39E-4     6.527E-3   3.3666E-2  0.132902   0.401266   0.531338
s2:  64.0055   25.292507  10.53491
     0.202305  0.62479    0.227439
s3:  3.206711
s4:  1.152555
s5:  0.176678
s6:  6.5237E-2
 
p1:  259.28362  61.07687   19.303237   7.010882
     9.448E-3   7.0974E-2  0.295636    0.728219
p2:  2.673865  1.036596
     0.644467  0.417413
p3:  0.316819
p4:  0.114257
p5:  4.1397E-2

:-----------------------------

SI        6-311G
  s: 6  p: 5   

s1:  69379.23  10354.94  2333.8796  657.14295  214.30113   77.629168
     7.57E-4   5.932E-3  3.1088E-2  0.124967   0.386897    0.554888
s2:  77.629168   30.630807   12.801295
     0.177881    0.627765    0.247623
s3:  3.926866
s4:  1.452343
s5:  0.256234
s6:  9.4279E-2
 
p1:  335.48319  78.900366  24.98815  9.219711
     8.866E-3   6.8299E-2  0.290958  0.732117
p2:  3.62114   1.45131
     0.619879  0.439148
p3:  0.504977
p4:  0.186317
p5:  6.5432E-2

:-----------------------------

P        6-311G
 s: 6  p: 5  
 
s1:  77492.4  11605.8   2645.96   754.976   248.755   91.1565
     7.81E-4  6.068E-3  3.116E-2  0.123431  0.378209  0.563262
s2:  91.1565   36.2257   15.2113
     0.160255  0.627647  0.263849
s3:  4.79417
s4:  1.80793
s5:  0.356816
s6:  0.114783
 
p1:  384.843   90.5521    29.1339  10.8862
     9.206E-3  6.9874E-2  0.29247  0.728103
p2:  4.35259   1.77706
     0.628349  0.428044
p3:  0.697005
p4:  0.253532
p5:  6.8493E-2

:-----------------------------

S        6-311G
 s: 6  p: 5  
 
s1:  93413.4  13961.7   3169.91    902.456   297.158   108.702
     7.43E-4  5.793E-3  2.9954E-2  0.119028  0.368432  0.577299
s2:  108.702   43.1553   18.1079
     0.143186  0.624465  0.283366
s3:  5.56009
s4:  2.13183
s5:  0.420403
s6:  0.136045
 
p1:  495.04    117.221    37.7749   14.0584
     8.309E-3  6.4024E-2  0.277614  0.745076
p2:  5.56574   2.26297
     0.613712  0.443818
p3:  0.807994
p4:  0.27746 
p5:  7.7141E-2

:-----------------------------

CL       6-311G
  s: 6  p: 5  
 
s1:  105819.  15872.    3619.65    1030.8    339.908   124.538
     7.38E-4  5.718E-3  2.9495E-2  0.117286  0.362949  0.584149
s2:  124.538   49.5135  20.8056
     0.134177  0.62425  0.291756
s3:  6.58346
s4:  2.56468
s5:  0.559763
s6:  0.183273
 
p1:  589.776   139.849    45.1413    16.8733   6.7411
     2.391E-3  1.8504E-2  8.1377E-2  0.221552  0.772569
p2:  6.7411    2.77152
    -1.572244  0.992389
p3:  1.02387
p4:  0.381368
p5:  0.109437

:-----------------------------

AR       6-311G
  s: 6   p: 5  

s1:  118022.38   17683.541  4027.7657   1145.3977  377.16375  138.15969
     7.47E-4     5.79E-3    2.9919E-2   0.119206   0.369028   0.576459
s2:  138.15969  54.989117   23.170667
     0.143927   0.622938    0.283964
s3:  7.37786
s4:  2.923688
s5:  0.650405
s6:  0.232825
 
p1:  663.06201   157.09281  50.2311    18.635345   7.446537
     3.082E-3    2.4165E-2  0.108223   0.294192    0.687862
p2:  7.446537   3.095698
    -1.214482   1.63237
p3:  1.106463
p4:  0.415601
p5:  0.145449

: end 6311 (ilc)


:*****************************
:            6-311G*
:*****************************


H         6-311G*
  s: 3    p: 0

s1:  33.865       5.09479      1.15879
     0.0254938    0.190373     0.852161
s2:  0.32584
s3:  0.102741

:p1:  0.75
:--------------------------------------

HE        6-311G*
  s: 3    p: 0

s1:  98.1243     14.7689    3.31883
     0.0287452   0.208061   0.837635
s2:  0.874047
s3:  0.244564

:p1:  0.75
:-------------------------------------

LI        6-311G*
  s: 4    p: 3    d: 1

s1:  900.46      134.433    30.4365    8.62639   2.48332   0.303179
     0.00228704  0.017635   0.0873434  0.280977  0.658741  0.118712
s2:  4.8689      0.856924   0.243227
     0.0933293   0.943045  -0.00279827
s3:  0.063507
s4:  0.0243683

p1:  4.8689      0.856924   0.243227
     0.0327661   0.159792   0.885667
p2:  0.063507
p3:  0.0243683

dp:  0.2
:---------------------------------------------------------------------

BE        6-311G*
  s: 4    p: 3    d: 1

s1:  1682.8      251.715    57.4116    16.5171   4.85364   0.626863
     0.00228574  0.0175938  0.0863315  0.281835  0.640594  0.144467
s2:  8.30938     1.74075    0.485816
     0.108621    0.927301  -0.00297169
s3:  0.163613
s4:  0.0567285

p1:  8.30938     1.74075    0.485816
     0.0361344   0.216958   0.841839
p2:  0.163613
p3:  0.0567285

dp:  0.255
:---------------------------------------------------------------------

B         6-311G*
  s: 4    p: 3    d: 1

s1:  2858.89     428.14      97.5282   27.9693   8.21577   1.11278
     0.00215375  0.0165823   0.082187  0.276618  0.629316  0.17377
s2:  13.2415     3.00166     0.912856
     0.117443    0.918002   -0.00265105
s3:  0.315454
s4:  0.0988563

p1:  13.2415     3.00166     0.912856
     0.04181     0.236575    0.816214
p2:  0.315454
p3:  0.0988563

dp:  0.401
:-----------------------------------------------------------------

C         6-311G*
  s: 4    p: 3    d: 1

s1:  4563.24     682.024    154.973    44.4553   13.029    1.82773
     0.00196665  0.0152306  0.0761269  0.260801  0.616462  0.221
s2:  20.9642     4.80331    1.45933
     0.11466     0.919999  -0.00303068
s3:  0.483456
s4:  0.145585

p1:  20.9642     4.80331    1.45933
     0.0402487   0.237594   0.815854
p2:  0.483456
p3:  0.145585

d:   0.626
:-------------------------------------------------------------------

N         6-311G*
  s: 4    p: 3    d: 1

s1:  6293.48     949.044    218.776    63.6916   18.8282   2.72023
     0.00196979  0.0149613  0.0735006  0.248937  0.60246   0.256202
s2:  30.6331     7.02614    2.11205
     0.111906    0.921666  -0.00256919
s3:  0.684009
s4:  0.200878

p1:  30.6331     7.02614    2.11205
     0.0383119   0.237403   0.817592
p2:  0.684009
p3:  0.200878

dp:  0.913
:--------------------------------------------------------------------

O         6-311G*
  s: 4    p: 3    d: 1

s1:  8588.5       1297.23     299.296   87.3771     25.6789   3.74004
     0.00189515   0.0143859   0.070732  0.240001    0.594797  0.280802
s2:  42.1175      9.62837     2.85332
     0.113889     0.920811   -0.00327447
s3:  0.905661
s4:  0.255611

p1:  42.1175      9.62837     2.85332
     0.0365114    0.237153    0.819702
p2:  0.905661
p3:  0.255611

dp:  1.292
:--------------------------------------------------------------------

F         6-311G*
  s: 4    p: 3    d: 1

s1:  11427.1     1722.35    395.746    115.139   33.6026   4.91901
     0.00180093  0.0137419  0.0681334  0.233325  0.589086  0.299505
s2:  55.4441     12.6323    3.71756
     0.114536    0.920512  -0.00337804
s3:  1.16545
s4:  0.321892

p1:  55.4441     12.6323    3.71756
     0.0354609   0.237451   0.820458
p2:  1.16545
p3:  0.321892

dp:  1.75
:---------------------------------------------------------------------

NE        6-311G*
  s: 4    p: 3    d: 1

s1:  13995.7     2117.1     490.425    143.833   41.9265   6.15684
     0.00183276  0.0138827  0.0680687  0.231328  0.58589   0.305883
s2:  69.1211     15.835     4.67326
     0.119149    0.917375  -0.00405839
s3:  1.45756
s4:  0.397057

p1:  69.1211     15.835     4.67326
     0.0356574   0.239477   0.818461
p2:  1.45756
p3:  0.397057

dp:  2.304
:-----------------------------------------------------------------

NA        6-311G*
  s: 6    p: 5   d: 1

s1:  36166.4   5372.58   1213.21    339.623   109.553   38.7773
     1.032E-3  8.071E-3  4.2129E-2  0.169789  0.514621  0.379817
s2:  38.7773   14.5759   5.26993
     0.374762  0.575769  0.112933
s3:  1.82777
s4:  0.619948
s5:  5.724E-2
s6:  2.4048E-2
 
p1:  144.645    33.9074    10.6285   3.82389
     1.1485E-2  8.2383E-2  0.319658  0.701295
p2:  1.44429   0.552621
     0.638506  0.425365
p3:  0.18872
p4:  4.6501E-2
p5:  1.6285E-2

dp:  0.175
:-----------------------------

MG        6-311G*
 s: 6  p: 5  d: 1
 
s1: 43866.5  6605.37   1513.26    432.317   142.149   51.3983
    9.18E-4  7.047E-3  3.5941E-2  0.141461  0.426764  0.497975
s2: 51.3983   19.9196   8.02474
    0.251355  0.618671  0.188417
s3: 2.50817
s4: 0.871531
s5: 0.108188
s6: 4.013E-2
 
p1: 193.854    45.442    14.1864   5.05751
    1.0188E-2  7.536E-2  0.307419  0.717575
p2: 1.88861   0.722652
    0.667339  0.394649
p3: 0.236417
p4: 9.3358E-2
p5: 3.4809E-2

dp:  0.175
:-----------------------------

AL        6-311G*
  s: 6   p: 5   d: 1 

s1:  54866.489   8211.7665  1866.1761  531.12934  175.11797  64.0055
     8.39E-4     6.527E-3   3.3666E-2  0.132902   0.401266   0.531338
s2:  64.0055   25.292507  10.53491
     0.202305  0.62479    0.227439
s3:  3.206711
s4:  1.152555
s5:  0.176678
s6:  6.5237E-2
 
p1:  259.28362  61.07687   19.303237   7.010882
     9.448E-3   7.0974E-2  0.295636    0.728219
p2:  2.673865  1.036596
     0.644467  0.417413
p3:  0.316819
p4:  0.114257
p5:  4.1397E-2

dp:  0.325
:-----------------------------

SI        6-311G*
  s: 6  p: 5   d: 1

s1:  69379.23  10354.94  2333.8796  657.14295  214.30113   77.629168
     7.57E-4   5.932E-3  3.1088E-2  0.124967   0.386897    0.554888
s2:  77.629168   30.630807   12.801295
     0.177881    0.627765    0.247623
s3:  3.926866
s4:  1.452343
s5:  0.256234
s6:  9.4279E-2
 
p1:  335.48319  78.900366  24.98815  9.219711
     8.866E-3   6.8299E-2  0.290958  0.732117
p2:  3.62114   1.45131
     0.619879  0.439148
p3:  0.504977
p4:  0.186317
p5:  6.5432E-2

dp:  0.45
:-----------------------------

P        6-311G*
 s: 6  p: 5  d: 1
 
s1:  77492.4  11605.8   2645.96   754.976   248.755   91.1565
     7.81E-4  6.068E-3  3.116E-2  0.123431  0.378209  0.563262
s2:  91.1565   36.2257   15.2113
     0.160255  0.627647  0.263849
s3:  4.79417
s4:  1.80793
s5:  0.356816
s6:  0.114783
 
p1:  384.843   90.5521    29.1339  10.8862
     9.206E-3  6.9874E-2  0.29247  0.728103
p2:  4.35259   1.77706
     0.628349  0.428044
p3:  0.697005
p4:  0.253532
p5:  6.8493E-2

dp: 0.55
:-----------------------------

S        6-311G*
 s: 6  p: 5  d: 1
 
s1:  93413.4  13961.7   3169.91    902.456   297.158   108.702
     7.43E-4  5.793E-3  2.9954E-2  0.119028  0.368432  0.577299
s2:  108.702   43.1553   18.1079
     0.143186  0.624465  0.283366
s3:  5.56009
s4:  2.13183
s5:  0.420403
s6:  0.136045
 
p1:  495.04    117.221    37.7749   14.0584
     8.309E-3  6.4024E-2  0.277614  0.745076
p2:  5.56574   2.26297
     0.613712  0.443818
p3:  0.807994
p4:  0.27746 
p5:  7.7141E-2

dp:  0.65
:-----------------------------

CL       6-311G*
  s: 6  p: 5  d: 1
 
s1:  105819.  15872.    3619.65    1030.8    339.908   124.538
     7.38E-4  5.718E-3  2.9495E-2  0.117286  0.362949  0.584149
s2:  124.538   49.5135  20.8056
     0.134177  0.62425  0.291756
s3:  6.58346
s4:  2.56468
s5:  0.559763
s6:  0.183273
 
p1:  589.776   139.849    45.1413    16.8733   6.7411
     2.391E-3  1.8504E-2  8.1377E-2  0.221552  0.772569
p2:  6.7411    2.77152
    -1.572244  0.992389
p3:  1.02387
p4:  0.381368
p5:  0.109437

dp:  0.75
:-----------------------------

AR       6-311G*
  s: 6   p: 5  d: 1

s1:  118022.38   17683.541  4027.7657   1145.3977  377.16375  138.15969
     7.47E-4     5.79E-3    2.9919E-2   0.119206   0.369028   0.576459
s2:  138.15969  54.989117   23.170667
     0.143927   0.622938    0.283964
s3:  7.37786
s4:  2.923688
s5:  0.650405
s6:  0.232825
 
p1:  663.06201   157.09281  50.2311    18.635345   7.446537
     3.082E-3    2.4165E-2  0.108223   0.294192    0.687862
p2:  7.446537   3.095698
    -1.214482   1.63237
p3:  1.106463
p4:  0.415601
p5:  0.145449

dp:  0.85
:-----------------------------
: end 6311 (ilc)


:*****************************
:            6-31G
:*****************************


H         6-31G
  s: 2

scale_s1=1.2
s1:  13.007734      1.96207942     0.444528953
     0.03349460434  0.2347269535   0.8137573262
scale_s2=1.15
s2:  0.121949156

:-----------------------------------

HE        6-31G
  s:  2    

s1:  38.421634       5.77803        1.241774
     2.3766E-2       0.154679       0.46963
s2:  0.297964

LI        6-31G
  s: 3    p: 2    
s1:  642.418915      96.7985153     22.0911212     6.20107025
     0.00214260781   0.0162088715   0.0773155725   0.245786052   cont
     1.93511768      0.636735789
     0.470189004     0.345470845
scale_s2=1.03
s2:  2.19145858      0.596126266    0.0745154442
    -0.0350917459   -0.191232844    1.0839878
scale_s3=1.12
s3:  0.0286686637

scale_p1=1.03
p1:  2.19145858      0.596126266    0.0745154442
     0.00894150804   0.141009464    0.945363695
scale_p2=1.12
p2:  0.0286686637

:--------------------------------------------------------------------

BE        6-31G
  s: 3    p: 2 

s1:  1264.58569      189.936806     43.1590890      12.0986627
     0.00194475759   0.014835052    0.0720905463    0.23715415    cont
     3.80632322      1.27289030
     0.469198652     0.356520228
scale_s2=1.03    
s2:  3.01297304      0.704885761    0.207339363
    -0.112648729    -0.229506409    1.18691677
scale_s3=1.12
s3:  0.0656169489

scale_p1=1.03
p1:  3.01297304      0.704885761    0.207339363
     0.0559801998    0.261550611    0.793972339
scale_p2=1.12
p2:  0.0656169489

:---------------------------------------------------------

B         6-31G
  s: 3    p: 2   

s1:  2068.88225      310.64957      70.683033      19.8610803
     0.00186627459   0.0142514817   0.0695516185   0.232572933   cont
     6.29930484      2.12702697
     0.467078712     0.36343144
scale_s2=1.03
s2:  4.45656619      1.12200748     0.338779982
    -0.130393797    -0.130788951    1.13094448
scale_s3=1.12
s3:  0.101045318

scale_p1=1.03
p1:  4.45656619      1.12200748     0.338779982
     0.0745975799    0.307846677    0.743456834
scale_p2=1.12
p2:  0.101045318

:---------------------------------------------------------------------

C         6-31G
  s: 3    p: 2  

s1:  3047.52488      457.369518     103.948685      29.2101553
     0.00183473713   0.0140373228   0.0688426222    0.232184443   cont
     9.28666296      3.16392696
     0.467941348     0.362311985
s2:  7.86827235      1.88128854     0.544249258
    -0.11933242     -0.160854152    1.14345644
scale_s3=1.04    
s3:  0.155986019

p1:  7.86827235      1.88128854     0.544249258
     0.0689990666    0.316423961    0.744308291
scale_p2=1.04    
p2:  0.155986019

:----------------------------------------------------------------------------

N         6-31G
  s: 3    p: 2 

s1: 4173.51146     627.457911       142.902093      40.2343293
    1.83477216E-3  1.3994627E-2     6.85865518E-2   0.232240873  cont
    12.8202129     4.39043701
    0.469069948    0.360455199
scale_s2=0.99
s2: 11.8624241     2.77143129       0.787897558
    -0.114961182   -0.169117479     1.14585195
scale_s3=0.98
s3: 0.220774154

scale_p1=0.99
p1: 11.8624241     2.77143129      0.787897558
    6.75797439E-2  0.323907296      0.74089514
scale_p2=0.98
p2: 0.220774154

:-------------

O         6-31G
  s: 3    p: 2

s1:  5484.67166     825.234946      188.046958       52.9645
     1.83107443E-3  1.39501722E-2   6.84450781E-2    0.232714336 cont
     16.8975704     5.79963534
     0.470192898    0.358520853
scale_s2=0.99
s2:  15.8551334     3.67302682      1.03434522
     -0.110777549  -0.148026262     1.13076701
scale_s3=0.98
s3:  0.281138924

scale_p1=0.99
p1:  15.8551334     3.67302682      1.03434522
     7.08742682E-2  0.339752839     0.727158577
scale_p2=0.98
p2:  0.281138924


F         6-31G
  s: 3    p: 2 


s1:  7001.71309     1051.36609      239.28569        67.3974453
     1.8196169E-3   1.39160796E-2   6.84053245E-2    0.23318576  cont
     21.5199573     7.4031013
     0.471267439    0.356618546
s2:  20.8479528     4.80830834      1.34406986
     -0.108506975  -0.146451658     1.12868858
s3:  0.358151393

p1:  20.8479528     4.80830834      1.34406986
     7.16287243E-2  0.345912103     0.722469957
p2:  0.358151393


NE        6-31G
   s: 3   p: 2 


s1:  8425.85153     1268.5194      289.621414       81.859004
     1.88434805E-3  1.43368994E-2  7.01096233E-2    0.237373266 cont
     26.2515079     9.09472051
     0.473007126    0.348401241
s2:  26.532131      6.10175501     1.69627153
     -0.107118287  -0.146163821    1.1277735
s3:  0.4458187
 
p1:  26.532131      6.10175501     1.69627153
     7.19095885E-2  0.349513372    0.719940512
p2:  0.4458187



:---------------------------
NA        6-31G
  s: 4    p: 3 

s1:  9993.2       1499.89     341.951     94.6796    29.7345    10.0063
     0.00193766   0.014807    0.0727055   0.252629   0.493242   0.313169
s2:  150.963      35.5878     11.1683     3.90201    1.38177    0.466382
    -0.00354208  -0.0439588  -0.109752    0.187398   0.646699   0.306058
s3:  0.497966     0.0843529   0.066635
    -0.248503    -0.131704    1.23352
s4:  0.0259544

p1:  150.963      35.5878     11.1683     3.90201    1.38177    0.466382
     0.00500166   0.0355109   0.142825    0.33862    0.451579   0.273271
p2:  0.497966     0.0843529   0.066635
    -0.0230225    0.950359    0.0598579
p3:  0.0259544


MG        6-31G
  s: 4    p: 3 

s1:  11722.8      1759.93     400.846     112.807
     1.97783E-3   1.5114E-2   7.39108E-2  0.249191 cont
     35.9997      12.1828
     0.487928     0.319662
s2:  189.18       45.2119     14.3563     5.13886
    -3.23717E-3  -4.10079E-2  -0.1126     0.148633 cont
     1.90652      0.705887
     0.616497     0.364829
s3:  0.92934      0.269035     0.117379
    -0.21229     -0.107985     1.17584
s4:  4.21061E-2

p1:  189.18       45.2119      14.3563     5.13886
     4.92813E-3   3.49888E-2   0.140725    0.333642 cont
     1.90652      0.705887
     0.44494      0.269254
p2:  0.92934      0.269035     0.117379
    -2.24192E-2   0.19227      0.846181
p3:  4.21061E-2


AL        6-31G
  s: 4   p: 3

s1:  13983.1     2098.75     477.705     134.36   42.8709   14.5189
     1.94267E-3  1.48599E-2  7.28494E-2  0.24683  0.487258  0.323496
s2:  239.668     57.4419     18.2859     6.59914  2.49049   0.944545
    -2.92619E-3 -3.74083E-2  -0.114487   0.115635 0.612595  0.393799
s3:  1.2779      0.39759      0.160095
    -0.227606    1.44583E-3   1.09279
s4:  5.56577E-2
 
p1:  239.668     57.4419      18.2859    6.59914   2.49049   0.944545
     4.60285E-3  3.3199E-2    0.136282   0.330476  0.449146  0.265704
p2:  1.2779      0.39759      0.160095
    -1.75126E-2  0.244533     0.804934
p3:  5.56577E-2


SI        6-31G
  s: 4   p: 3 
 
s1:  16115.9     2425.58      553.867     156.34     50.0683    17.0178
     1.95948E-3  1.49288E-2   7.28478E-2  0.24613    0.485914   0.325002
s2:  292.718     69.8731      22.3363     8.15039    3.13458    1.22543
    -2.78094E-3 -3.57146E-2  -0.114985    9.35634E-2 0.603017   0.418959
s3:  1.72738     0.572922     0.222192
    -0.24463     4.31572E-3   1.09818
s4:  7.78369E-2
 
p1:  292.718     69.8731      22.3363     8.15039    3.13458    1.22543
     4.43826E-3  3.26679E-2   0.134721    0.328678   0.44964    0.261372
p2:  1.72738     0.572922     0.222192
    -1.77951E-2  0.253539     0.800669
p3:  7.78369E-2


P         6-31G
  s: 4  p: 3  

s1:  19413.3     2909.42     661.364     185.759     59.1943   20.031
     1.8516E-3   1.42062E-2  6.99995E-2  0.240079    0.484762  0.3352
s2:  339.478     81.0101     25.878      9.45221     3.66566   1.46746
    -2.78217E-3 -3.60499E-2 -0.116631    9.68328E-2  0.614418  0.403798
scale_s3=0.98
s3:  2.15623     0.748997    0.283145
    -0.252923    3.28517E-2  1.08125
scale_s4=1.02
s4:  9.98317E-2
 
p1:  339.478     81.0101     25.878      9.45221     3.66566    1.46746
     4.56462E-3  3.36936E-2  0.139755    0.339362    0.450921   0.238586
scale_p2=0.98
p2:  2.15623     0.748997    0.283145
    -1.77653E-2  0.274058    0.785421
scale_p3=1.02
p3:  9.98317E-2
 
:---------------------------------------------------------------

S         6-31G
  s: 4    p: 3 

s1:  21917.1      3301.49     754.146     212.711    67.9896    23.0515
     0.00186924   0.0142303   0.0696962   0.238487   0.483307   0.338074
s2:  423.735      100.71      32.1599     11.8079    4.6311     1.87025
    -0.00237677  -0.031693   -0.113317    0.05609    0.592255   0.455006
scale_s3=0.98
s3:  2.61584      0.922167    0.341287
    -0.250374     0.066957    1.05451
scale_s4=1.01
s4:  0.117167

p1:  423.735      100.71      32.1599     11.8079    4.6311     1.87025
     0.00406101   0.0306813   0.130452    0.327205   0.452851   0.256042
scale_p2=0.98
p2:  2.61584      0.922167    0.341287
    -0.0145105    0.310263    0.754483
scale_p3=1.01
p3:  0.117167

:-------------
CL        6-31G
  s: 4   p: 3  

s1:  25180.1     3780.35      860.474     242.145     77.3349   26.247
     1.83296E-3  1.40342E-2   6.90974E-2  0.237452    0.483034  0.339856
s2:  491.765     116.984      37.4153     13.7834     5.45215   2.22588
    -2.29739E-3 -3.07137E-2  -0.112528    4.50163E-2  0.589353  0.465206
s3:  3.18649     1.14427      0.420377
    -0.25183     6.1589E-2    1.06018
scale_s4=1.01
s4:  0.142657
 
p1:  491.765     116.984      37.4153     13.7834     5.45215    2.22588
     3.9894E-3   3.03177E-2   0.12988     0.327951    0.453527   0.252154
p2:  3.18649     1.14427      0.420377
    -1.42993E-2  0.323572     0.743507
scale_p3=1.01
p3:  0.142657
 

AR        6-31G
  s: 4   p: 3 

s1:  28348.3      4257.62      969.857      273.263     87.3695    29.6867
     1.82526E-3   1.39686E-2   6.87073E-2   0.236204    0.482214   0.342043
s2:  575.891      136.816      43.8098      16.2094     6.46084    2.65114
    -2.15972E-3  -2.90775E-2  -0.110827     2.76999E-2  0.577613   0.488688
s3:  3.86028      1.41373      0.516646
    -0.255592     3.78066E-2   1.08056
s4:  0.173888
 
p1:  575.891      136.816      43.8098     16.2094   6.46084   2.65114
     3.80665E-3   2.92305E-2   0.126467    0.32351   0.454896  0.25663
p2:  3.86028      1.41373      0.516646
    -1.59197E-2   0.324646     0.74399
p3:  0.173888


:*****************************
:            6-31G*
:*****************************


H         6-31G*
  s: 2

scale_s1=1.2
s1:  13.007734      1.96207942     0.444528953
     0.03349460434  0.2347269535   0.8137573262
scale_s2=1.15
s2:  0.121949156

:-----------------------------------

H         6-31G**
  s: 2    p: 1

scale_s1=1.2
s1:  13.007734      1.96207942     0.444528953
     0.03349460434  0.2347269535   0.8137573262
scale_s2=1.15
s2:  0.121949156

p1:  1.1
:-----------------------------------
HE        6-31G*
  s:  2    

s1:  38.421634       5.77803        1.241774
     2.3766E-2       0.154679       0.46963
s2:  0.297964

:-----------------------------------

HE        6-31G**
  s:  2     p:  1

s1:  38.421634       5.77803        1.241774
     2.3766E-2       0.154679       0.46963
s2:  0.297964

p1:  1.1
:-----------------------------------
LI        6-31G*
  s: 3    p: 2    d: 1
s1:  642.418915      96.7985153     22.0911212     6.20107025
     0.00214260781   0.0162088715   0.0773155725   0.245786052   cont
     1.93511768      0.636735789
     0.470189004     0.345470845
scale_s2=1.03
s2:  2.19145858      0.596126266    0.0745154442
    -0.0350917459   -0.191232844    1.0839878
scale_s3=1.12
s3:  0.0286686637

scale_p1=1.03
p1:  2.19145858      0.596126266    0.0745154442
     0.00894150804   0.141009464    0.945363695
scale_p2=1.12
p2:  0.0286686637

d1:  0.2
:--------------------------------------------------------------------

BE        6-31G*
  s: 3    p: 2    d: 1

s1:  1264.58569      189.936806     43.1590890      12.0986627
     0.00194475759   0.014835052    0.0720905463    0.23715415    cont
     3.80632322      1.27289030
     0.469198652     0.356520228
scale_s2=1.03    
s2:  3.01297304      0.704885761    0.207339363
    -0.112648729    -0.229506409    1.18691677
scale_s3=1.12
s3:  0.0656169489

scale_p1=1.03
p1:  3.01297304      0.704885761    0.207339363
     0.0559801998    0.261550611    0.793972339
scale_p2=1.12
p2:  0.0656169489

dp:  0.4  
:---------------------------------------------------------

B         6-31G*
  s: 3    p: 2    d: 1

s1:  2068.88225      310.64957      70.683033      19.8610803
     0.00186627459   0.0142514817   0.0695516185   0.232572933   cont
     6.29930484      2.12702697
     0.467078712     0.36343144
scale_s2=1.03
s2:  4.45656619      1.12200748     0.338779982
    -0.130393797    -0.130788951    1.13094448
scale_s3=1.12
s3:  0.101045318

scale_p1=1.03
p1:  4.45656619      1.12200748     0.338779982
     0.0745975799    0.307846677    0.743456834
scale_p2=1.12
p2:  0.101045318

d1:  0.6
:---------------------------------------------------------------------

C         6-31G*
  s: 3    p: 2    d: 1

s1:  3047.52488      457.369518     103.948685      29.2101553
     0.00183473713   0.0140373228   0.0688426222    0.232184443   cont
     9.28666296      3.16392696
     0.467941348     0.362311985
s2:  7.86827235      1.88128854     0.544249258
    -0.11933242     -0.160854152    1.14345644
scale_s3=1.04    
s3:  0.155986019

p1:  7.86827235      1.88128854     0.544249258
     0.0689990666    0.316423961    0.744308291
scale_p2=1.04    
p2:  0.155986019

d1:  0.8
:----------------------------------------------------------------------------

N         6-31G*
  s: 3    p: 2   d: 1

s1: 4173.51146     627.457911       142.902093      40.2343293
    1.83477216E-3  1.3994627E-2     6.85865518E-2   0.232240873  cont
    12.8202129     4.39043701
    0.469069948    0.360455199
scale_s2=0.99
s2: 11.8624241     2.77143129       0.787897558
    -0.114961182   -0.169117479     1.14585195
scale_s3=0.98
s3: 0.220774154

scale_p1=0.99
p1: 11.8624241     2.77143129      0.787897558
    6.75797439E-2  0.323907296      0.74089514
scale_p2=0.98
p2: 0.220774154

d1: 0.8
:-------------

O         6-31G*
  s: 3    p: 2  d: 1

s1:  5484.67166     825.234946      188.046958       52.9645
     1.83107443E-3  1.39501722E-2   6.84450781E-2    0.232714336 cont
     16.8975704     5.79963534
     0.470192898    0.358520853
scale_s2=0.99
s2:  15.8551334     3.67302682      1.03434522
     -0.110777549  -0.148026262     1.13076701
scale_s3=0.98
s3:  0.281138924

scale_p1=0.99
p1:  15.8551334     3.67302682      1.03434522
     7.08742682E-2  0.339752839     0.727158577
scale_p2=0.98
p2:  0.281138924

d1:  0.8

F         6-31G*
  s: 3    p: 2  d: 1


s1:  7001.71309     1051.36609      239.28569        67.3974453
     1.8196169E-3   1.39160796E-2   6.84053245E-2    0.23318576  cont
     21.5199573     7.4031013
     0.471267439    0.356618546
s2:  20.8479528     4.80830834      1.34406986
     -0.108506975  -0.146451658     1.12868858
s3:  0.358151393

p1:  20.8479528     4.80830834      1.34406986
     7.16287243E-2  0.345912103     0.722469957
p2:  0.358151393

d1: 0.8

NE        6-31G*
   s: 3   p: 2  d: 1


s1:  8425.85153     1268.5194      289.621414       81.859004
     1.88434805E-3  1.43368994E-2  7.01096233E-2    0.237373266 cont
     26.2515079     9.09472051
     0.473007126    0.348401241
s2:  26.532131      6.10175501     1.69627153
     -0.107118287  -0.146163821    1.1277735
s3:  0.4458187
 
p1:  26.532131      6.10175501     1.69627153
     7.19095885E-2  0.349513372    0.719940512
p2:  0.4458187

d1:  0.8


:---------------------------
NA        6-31G*
  s: 4    p: 3    d: 1

s1:  9993.2       1499.89     341.951     94.6796    29.7345    10.0063
     0.00193766   0.014807    0.0727055   0.252629   0.493242   0.313169
s2:  150.963      35.5878     11.1683     3.90201    1.38177    0.466382
    -0.00354208  -0.0439588  -0.109752    0.187398   0.646699   0.306058
s3:  0.497966     0.0843529   0.066635
    -0.248503    -0.131704    1.23352
s4:  0.0259544

p1:  150.963      35.5878     11.1683     3.90201    1.38177    0.466382
     0.00500166   0.0355109   0.142825    0.33862    0.451579   0.273271
p2:  0.497966     0.0843529   0.066635
    -0.0230225    0.950359    0.0598579
p3:  0.0259544

d1:  0.175

MG        6-31G*
  s: 4    p: 3    d: 1

s1:  11722.8      1759.93     400.846     112.807
     1.97783E-3   1.5114E-2   7.39108E-2  0.249191 cont
     35.9997      12.1828
     0.487928     0.319662
s2:  189.18       45.2119     14.3563     5.13886
    -3.23717E-3  -4.10079E-2  -0.1126     0.148633 cont
     1.90652      0.705887
     0.616497     0.364829
s3:  0.92934      0.269035     0.117379
    -0.21229     -0.107985     1.17584
s4:  4.21061E-2

p1:  189.18       45.2119      14.3563     5.13886
     4.92813E-3   3.49888E-2   0.140725    0.333642 cont
     1.90652      0.705887
     0.44494      0.269254
p2:  0.92934      0.269035     0.117379
    -2.24192E-2   0.19227      0.846181
p3:  4.21061E-2

d1:  0.175

AL        6-31G*
  s: 4   p: 3     d: 1

s1:  13983.1     2098.75     477.705     134.36   42.8709   14.5189
     1.94267E-3  1.48599E-2  7.28494E-2  0.24683  0.487258  0.323496
s2:  239.668     57.4419     18.2859     6.59914  2.49049   0.944545
    -2.92619E-3 -3.74083E-2  -0.114487   0.115635 0.612595  0.393799
s3:  1.2779      0.39759      0.160095
    -0.227606    1.44583E-3   1.09279
s4:  5.56577E-2
 
p1:  239.668     57.4419      18.2859    6.59914   2.49049   0.944545
     4.60285E-3  3.3199E-2    0.136282   0.330476  0.449146  0.265704
p2:  1.2779      0.39759      0.160095
    -1.75126E-2  0.244533     0.804934
p3:  5.56577E-2

d1:  0.325

SI        6-31G*
  s: 4   p: 3   d: 1
 
s1:  16115.9     2425.58      553.867     156.34     50.0683    17.0178
     1.95948E-3  1.49288E-2   7.28478E-2  0.24613    0.485914   0.325002
s2:  292.718     69.8731      22.3363     8.15039    3.13458    1.22543
    -2.78094E-3 -3.57146E-2  -0.114985    9.35634E-2 0.603017   0.418959
s3:  1.72738     0.572922     0.222192
    -0.24463     4.31572E-3   1.09818
s4:  7.78369E-2
 
p1:  292.718     69.8731      22.3363     8.15039    3.13458    1.22543
     4.43826E-3  3.26679E-2   0.134721    0.328678   0.44964    0.261372
p2:  1.72738     0.572922     0.222192
    -1.77951E-2  0.253539     0.800669
p3:  7.78369E-2

d1:  0.45

P         6-31G*
  s: 4  p: 3  d: 1

s1:  19413.3     2909.42     661.364     185.759     59.1943   20.031
     1.8516E-3   1.42062E-2  6.99995E-2  0.240079    0.484762  0.3352
s2:  339.478     81.0101     25.878      9.45221     3.66566   1.46746
    -2.78217E-3 -3.60499E-2 -0.116631    9.68328E-2  0.614418  0.403798
scale_s3=0.98
s3:  2.15623     0.748997    0.283145
    -0.252923    3.28517E-2  1.08125
scale_s4=1.02
s4:  9.98317E-2
 
p1:  339.478     81.0101     25.878      9.45221     3.66566    1.46746
     4.56462E-3  3.36936E-2  0.139755    0.339362    0.450921   0.238586
scale_p2=0.98
p2:  2.15623     0.748997    0.283145
    -1.77653E-2  0.274058    0.785421
scale_p3=1.02
p3:  9.98317E-2
 
d1:  0.55
:---------------------------------------------------------------

S         6-31G*
  s: 4    p: 3    d: 1

s1:  21917.1      3301.49     754.146     212.711    67.9896    23.0515
     0.00186924   0.0142303   0.0696962   0.238487   0.483307   0.338074
s2:  423.735      100.71      32.1599     11.8079    4.6311     1.87025
    -0.00237677  -0.031693   -0.113317    0.05609    0.592255   0.455006
scale_s3=0.98
s3:  2.61584      0.922167    0.341287
    -0.250374     0.066957    1.05451
scale_s4=1.01
s4:  0.117167

p1:  423.735      100.71      32.1599     11.8079    4.6311     1.87025
     0.00406101   0.0306813   0.130452    0.327205   0.452851   0.256042
scale_p2=0.98
p2:  2.61584      0.922167    0.341287
    -0.0145105    0.310263    0.754483
scale_p3=1.01
p3:  0.117167

d1:  0.65
:-------------
CL        6-31G*
  s: 4   p: 3   d: 1

s1:  25180.1     3780.35      860.474     242.145     77.3349   26.247
     1.83296E-3  1.40342E-2   6.90974E-2  0.237452    0.483034  0.339856
s2:  491.765     116.984      37.4153     13.7834     5.45215   2.22588
    -2.29739E-3 -3.07137E-2  -0.112528    4.50163E-2  0.589353  0.465206
s3:  3.18649     1.14427      0.420377
    -0.25183     6.1589E-2    1.06018
scale_s4=1.01
s4:  0.142657
 
p1:  491.765     116.984      37.4153     13.7834     5.45215    2.22588
     3.9894E-3   3.03177E-2   0.12988     0.327951    0.453527   0.252154
p2:  3.18649     1.14427      0.420377
    -1.42993E-2  0.323572     0.743507
scale_p3=1.01
p3:  0.142657
 
d1:  0.75

AR        6-31G*
  s: 4   p: 3  d: 1

s1:  28348.3      4257.62      969.857      273.263     87.3695    29.6867
     1.82526E-3   1.39686E-2   6.87073E-2   0.236204    0.482214   0.342043
s2:  575.891      136.816      43.8098      16.2094     6.46084    2.65114
    -2.15972E-3  -2.90775E-2  -0.110827     2.76999E-2  0.577613   0.488688
s3:  3.86028      1.41373      0.516646
    -0.255592     3.78066E-2   1.08056
s4:  0.173888
 
p1:  575.891      136.816      43.8098     16.2094   6.46084   2.65114
     3.80665E-3   2.92305E-2   0.126467    0.32351   0.454896  0.25663
p2:  3.86028      1.41373      0.516646
    -1.59197E-2   0.324646     0.74399
p3:  0.173888

d1:  0.85


:****************************
:  BASIC FITTING BASIS SETS
:
:           P1  (default)
:           P2  (extended)
:    x4,  x5
:
:  AUXILIARY SETS FOR 6-31G* set
:****************************


H         P1    
  s: 3   
 
     16.0
      1.6
      0.32
     
  s: 3  

     5.3
     0.53
     0.11
:-----------------------------------
H         P2    
  s: 3    p: 1
 
     16.0
      0.75
      0.25

      2.2
     
  s: 3  p: 1

     5.3
     0.25
     0.08

     0.73
:-----------------------------------
HE         P1    
  s: 3   
 
     30.0
      3.00
      0.60

  s: 3

     10.0
     1.00
     0.20

HE         P2    
  s: 3    p: 1
 
     36.0
      9.0
      0.55

      2.2
     
  s: 3  p: 1

     12.0
     3.0
     0.18

     0.73

:---------------------------------------

LI        P1    
  s: 4    p: 0    d: 3

s:  300.0
    60.0
    15.0
    3.8

d:  1.2
    0.24
    0.06

  s: 4    p: 0    d: 3

s:  100.0
    20.0
    5.0
    1.3

d:  0.4
    0.08
    0.02
:----------------------------------------------------------------------

BE        P1    
  s: 4    p: 0    d: 3

s:  666.0
    133.0
    33.3
    8.3               

d:  2.6
    0.52
    0.13

  s: 4    p: 0    d: 3

s:  222.0
    44.3
    11.1
    2.8

d:  0.87
    0.17
    0.043
:--------------------------------------------------------------------

B         P1    
  s: 4    p: 0    d: 3

s:  1024.0
    205.0
    51.0
    12.8

d:  3.2
    0.8
    0.2

  s: 4    p: 0    d: 3

s:  341.0
    68.3
    17.0
    4.3

d:  1.1
    0.27
    0.07
:-------------------------------------------------------------------

C         P1    
  s: 4    p: 0    d: 3

s:  1520.0
    304.0
    76.0
    19.0

d:  6.0
    1.2
    0.3

  s: 4    p: 0    d: 3

s:  507.0
    101.0
    25.3
    6.3

d:  2.0
    0.4
    0.1
:--------------------------------------------------

N         P1    
  s: 4    p: 0    d: 3

s:  2250.0
    450.0 
    112.6
    28.2

d:  8.80
    1.76
    0.44

  s: 4    p: 0    d: 3

s:  750.0
    150.0
    37.0
    9.4

d:  2.9
    0.60 
    0.146
:---------------------------------------------------

O       P1
  s: 4    p: 0    d: 3

s:  2860.0
    573.0
    143.0
    35.8

d:  11.2
    2.24
    0.56
  
  s: 4    p: 0    d: 3

s:  955.0
    191.0
    47.7
    11.9

d:  3.73 
    0.75 
    0.186
:-----------------------------------------------------

F         P1
  s: 4    p: 0    d: 3

s:  3680.0
    737.0
    184.0
    46.0

d:  14.4
    2.88
    0.72

  s: 4    p: 0    d: 3

s:  1226.0
    246.0
    61.0
    15.3

d:  4.80
    0.96
    0.24
:-----------------------------------------------------

NE        P1
  s: 4    p: 0    d: 3

s:  4560.0
    912.0
    228.0
    57.0

d:  17.8
    3.56
    0.89

  s: 4    p: 0    d: 3

s:  1520.0
    304.0
    76.0
    19.0

d:  6.00
    1.20
    0.30
:-------------------------------------------------

NA        P1 
  s: 5    p: 0    d: 4

s:  4900.0
    976.0
    244.0
    61.0
    15.4

d:  4.80
    0.96
    0.24
    0.06

  s: 5    p: 0    d: 4

s:  1630.0
    325.0
    81.3
    20.3
    5.1

d:  1.6
    0.32
    0.08
    0.02
:----------------------------------------------------

MG        P1    
  s: 5    p: 0    d:4

s:  6560.0
    1312.0
    328.0
    82.0
    20.5

d:  6.40
    1.28
    0.32
    0.08

  s: 5    p: 0    d:4

s:  2187.0
    437.0
    109.3
    27.3
    6.8

d:  2.2
    0.42
    0.11
    0.033
:------------------------------------------------

AL        P1    
  s: 5    p: 0    d: 4

s:  9040.0
    1808.0
    452.0
    113.0
    28.2

d:  8.80
    1.76
    0.44
    0.11

  s: 5    p: 0    d: 4

s:  3013.0
    603.0
    151.0
    37.7
    9.4

d:  2.93
    0.59
    0.15
    0.04
:---------------------------------------------------

SI        P1
  s: 5    p: 0    d: 4

  13100.0
  2621.0
  655.0
  160.0
  41.0

  13.0
  2.56
  0.64
  0.16

  s: 5    p: 0    d: 4

  4366.0
  873.6
  218.3
  53.3
  13.6

  4.33
  0.85
  0.21
  0.053
:-------------------------------------------------

P         P1    
  s: 5    p: 0    d: 4

s:  16380.0
    3277.0
    820.0
    205.0
    51.0

d:  16.0
    3.2
    0.8
    0.2

  s: 5    p: 0    d: 4

s:  5461.0
    1092.0
    273.3
    68.3
    17.0

d:  5.3
    1.1
    0.27
    0.066
:----------------------------------------------------

S         P1 
  s: 5    p: 0    d: 4

s:  18880.0
    3776.0
    944.0
    236.0
    60.0

d:  18.5
    3.7
    0.92
    0.23

  s: 5    p: 0    d: 4

s:  6290.0
    1259.0
    315.0
    78.7
    20.0

d:  6.2
    1.23
    0.31
    0.08
:-----------------------------------------------------

CL        P1   
  s: 5    p: 0    d: 4

s:  23760.0
    4751.0
    1188.0
    297.0
    74.2

d:  23.2
    4.64
    1.16
    0.29

  s: 5    p: 0    d: 4

s:  7920.0
    1584.0
    396.0
    99.0 
    24.7

d:  7.7
    1.55
    0.39
    0.1
:-----------------------------------------------------

AR        P1   
  s: 5    p: 0    d: 4

s:  28672.0
    5734.0
    1434.0
    358.0
    90.0

d:  28.0
    5.60
    1.40
    0.35

  s: 5    p: 0    d: 4

s:  9560.0
    1911.0
    478.0
    119.0
    30.0

d:  9.3
    1.87
    0.47
    0.12
:__________________________________end ______________________--
Modified: Wed Mar 26 17:00:00 1997 GMT
Page accessed 6822 times since Sat Apr 17 21:39:16 1999 GMT